data_1x0n_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 1x0n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CG ' ' CE2' ' A' ' 83' ' ' PHE . 4.5 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 75.42 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.0 t80 -86.67 148.19 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.913 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 12.0 m-85 -142.69 135.9 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.44 -121.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 64.4 112.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HG2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -91.48 109.12 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 72.02 110.889 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.0 135.69 12.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 71.53 111.139 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.34 60.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.676 2.251 . . . . 74.24 112.332 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -42.8 -33.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.874 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -58.14 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.068 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.92 30.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.928 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.32 32.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 62.34 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 62.8 mt-10 -47.44 -37.47 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.02 110.931 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.35 -38.72 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.81 -37.44 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.41 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.63 -48.93 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.957 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 p -57.11 -43.36 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -55.34 -23.78 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.908 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.446 ' NE2' HG12 ' A' ' 151' ' ' ILE . 78.3 mm-40 -61.69 -173.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.04 -29.63 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.848 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -81.19 -170.73 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.857 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -127.74 119.11 25.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.29 19.17 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.43 112.509 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 125.12 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 72.33 111.083 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . 38.4 p90 -110.29 148.89 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tt -151.84 117.38 5.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.22 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -94.74 124.01 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.14 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 149.25 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -112.55 147.85 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -63.24 175.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.869 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -95.19 -56.46 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.902 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.0 2.85 32.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.54 110.839 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.18 82.56 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 74.41 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.34 112.347 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.4 10.04 30.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 64.22 112.453 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 1.4 t0 -103.65 143.8 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 71.23 110.858 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CG ' HD11 ' A' ' 128' ' ' LEU . 38.7 m-85 -142.86 137.23 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 p -139.15 121.33 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.2 tm? -89.86 135.97 33.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.15 110.904 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 97' ' ' LEU . 8.9 t -125.58 108.89 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.43 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.56 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.8 150.42 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.54 111.143 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 99' ' ' VAL . 16.1 tttm -99.28 122.11 42.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 14.0 m-85 -123.13 97.22 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.69 -122.49 17.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 64.54 112.479 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 21.45 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 73.12 110.909 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -141.59 133.88 27.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 61.41 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.438 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 60.5 t -95.02 106.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 70.53 111.149 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.39 173.6 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -157.91 164.51 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.84 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -143.14 114.46 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.408 ' NZ ' ' OD1' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -62.48 122.59 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 65.14 110.921 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.7 t -89.53 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.02 111.122 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.39 179.52 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.79 156.31 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.842 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -152.46 146.92 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 74.03 110.869 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.48 -56.84 1.99 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.34 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 64.13 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.491 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -131.96 -23.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 40.02 112.508 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.91 125.26 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 74.21 110.864 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -110.55 169.49 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.946 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -171.38 176.59 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 64.12 110.87 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 mp -125.85 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.24 110.921 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -111.53 -67.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.952 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.1 m -130.08 -4.23 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.099 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 9.9 p -100.36 138.01 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.33 111.129 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -142.19 158.73 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.45 110.896 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' A' ' 123' ' ' VAL . 61.4 m-85 -153.13 176.38 11.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -84.25 -46.51 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.85 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 t -114.42 157.18 23.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' A' ' 95' ' ' PHE . 13.1 mt -64.92 -27.12 68.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -35.0 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.869 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 3.2 mm-40 -67.8 -27.58 66.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.01 -55.41 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.926 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 133' ' ' ASP . 10.5 m -56.2 -36.44 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.11 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 132' ' ' VAL . 1.2 t70 -72.66 -56.97 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -47.21 -44.69 22.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -77.14 -24.39 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -25.28 66.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.871 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -108.53 -25.56 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.915 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 48.7 m -113.35 145.04 41.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 74.54 111.171 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -42.01 160.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.844 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -142.77 -36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 63.21 111.119 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.62 149.54 25.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.31 25.11 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.875 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.45 -49.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.5 110.893 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 -178.46 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 74.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.9 87.0 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.5 mt -131.24 151.8 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.14 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.59 169.25 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 16.4 mt -79.54 108.97 13.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -82.41 133.14 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.2 111.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 61.55 110.853 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.446 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.7 tt -71.24 143.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.152 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 2.0 tt0 -75.29 78.83 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.888 -179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.474 ' CZ3' HD11 ' A' ' 85' ' ' ILE . 5.3 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 75.53 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -84.55 144.26 28.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' CG ' HD13 ' A' ' 84' ' ' LEU . 14.1 m-85 -135.64 140.49 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.42 110.891 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.36 -140.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.767 . . . . 73.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.5 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 74.23 110.9 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.38 133.15 24.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 75.22 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.72 69.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 74.15 112.326 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.452 ' NH1' ' NE2' ' A' ' 107' ' ' HIS . 26.3 ttm-85 -45.37 -42.86 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.892 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.27 -51.82 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 63.43 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.15 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 65.43 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.51 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 62.24 111.106 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 50.6 mt-10 -57.43 -26.28 60.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -80.61 -44.4 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.61 -31.48 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.31 -45.98 10.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.913 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -56.57 -50.92 70.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -48.02 -29.83 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 75.24 110.874 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.441 ' NE2' HG12 ' A' ' 151' ' ' ILE . 50.0 mm-40 -62.09 176.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.14 -33.7 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 64.3 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -171.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.832 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 105.13 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.39 22.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 75.41 112.499 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.66 122.79 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.335 . . . . 64.41 111.12 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 60' ' ' TRP . 10.4 p90 -112.83 151.62 30.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.904 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 62' ' ' PHE . 2.1 tt -155.11 116.53 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.474 HD11 ' CZ3' ' A' ' 60' ' ' TRP . 48.5 mt -90.89 123.31 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.114 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -109.06 155.78 20.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.03 110.833 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -118.19 138.0 52.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.86 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.2 m -58.13 174.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 72.44 110.815 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -103.91 -36.26 7.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.881 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.2 0.01 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -113.64 90.41 18.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 75.34 111.113 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 71.15 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.63 -4.46 34.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 55.24 112.441 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.31 118.4 24.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 72.45 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 128' ' ' LEU . 19.7 m-85 -118.2 141.08 48.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.901 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.34 124.82 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.912 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.5 tm? -91.74 136.08 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.437 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.8 t -121.59 111.17 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.865 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.67 145.83 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.31 111.155 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' N ' HG12 ' A' ' 99' ' ' VAL . 11.5 tttm -97.79 131.48 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 16.1 m-85 -129.7 98.8 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.925 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.82 -108.76 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 65.02 112.505 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -112.54 18.35 18.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 74.35 110.923 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.61 131.96 36.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.463 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 91.9 t -96.11 107.55 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.122 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.647 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 42.4 mm-40 -95.29 171.46 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.924 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 1.1 m-70 -149.89 165.49 32.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 75.11 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.75 113.25 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.921 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 112.74 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.3 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 112' ' ' ARG . 41.3 t -71.68 124.19 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.35 111.133 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 1.0 OUTLIER -88.49 131.35 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.937 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.573 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -125.97 136.66 53.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.839 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.1 163.46 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.864 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.17 4.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 54.14 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -173.2 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 74.45 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.0 30.5 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 71.41 112.502 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -104.58 136.08 44.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 74.51 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.6 m-85 -105.57 162.3 13.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 3.6 p90 -171.5 168.25 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 70.32 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.2 mt -120.49 -88.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.888 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.484 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -159.25 19.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.918 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.29 -41.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.077 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.539 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 8.7 p -143.18 170.27 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.138 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -117.35 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 72.05 110.917 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER -158.73 159.63 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 75.04 110.874 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.02 -35.84 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.41 110.871 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.6 t -136.46 172.2 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.861 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 95' ' ' PHE . 57.4 mt -72.89 -45.89 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -36.82 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.11 84.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 70.44 110.886 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 125' ' ' PHE . 4.3 mp -74.52 -35.32 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.919 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.1 -51.36 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 134' ' ' TYR . 0.5 OUTLIER -68.24 -53.62 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.25 110.888 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.4 t80 -36.76 -52.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 61.35 110.946 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -73.68 -37.2 65.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -48.46 -25.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.9 p -112.31 -31.79 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 65.41 110.851 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 139' ' ' SER . 52.9 m -103.22 140.28 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.54 111.126 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 138' ' ' THR . 18.1 p -39.19 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.879 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 141' ' ' SER . 6.3 p -135.26 -37.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.152 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' HG13 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -84.48 133.05 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.864 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -87.09 32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -131.49 -53.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.79 -171.26 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 65.14 110.945 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -108.28 97.28 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.92 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.0 mt -134.46 159.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 65.31 111.176 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -114.68 151.29 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 109.0 4.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -86.14 134.05 33.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.87 107.79 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 77' ' ' GLN . 5.1 tt -54.98 151.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.05 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.75 88.24 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.937 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 71.11 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -112.95 140.78 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.86 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 28.3 m-85 -131.1 148.94 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.43 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.17 110.16 2.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 55.01 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 69.05 85.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.316 . . . . 72.31 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 86' ' ' ARG . 1.1 pp -148.04 132.37 8.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 72.02 111.097 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.07 66.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 72.52 112.367 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -30.1 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.43 71.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.65 77.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.888 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 84' ' ' LEU . . . -55.41 -55.33 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.093 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -50.35 -34.85 25.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.15 -42.65 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.856 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 36.2 mmt -62.09 -29.98 70.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.45 -46.34 11.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.952 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -43.35 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -25.85 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.888 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.1 mm-40 -61.07 179.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 75.55 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -118.18 -31.25 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.846 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.55 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.852 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -124.62 113.03 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.67 20.75 4.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 52.4 112.499 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.98 126.25 26.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 73.45 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.487 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 41.0 p90 -105.88 152.5 23.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 70' ' ' ALA . 1.8 tt -154.74 117.93 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.936 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -94.71 129.36 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.158 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HB3' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -120.48 160.81 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.9 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -112.19 133.77 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.53 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 72.52 110.877 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -78.67 -35.71 44.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.823 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -95.8 -3.25 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.88 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.16 87.86 46.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 65.32 111.062 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 121.66 8.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.21 112.367 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.97 -14.51 44.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.542 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 132.37 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 61.45 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.453 ' CG ' HD13 ' A' ' 128' ' ' LEU . 49.8 m-85 -115.69 144.37 44.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.839 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 p -142.88 123.08 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.857 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' HIS . 8.3 tp -88.06 147.9 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 73.01 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.875 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.477 HG13 ' CE2' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -98.1 154.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.11 111.114 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' N ' HG11 ' A' ' 99' ' ' VAL . 14.0 ttpt -93.04 135.69 33.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.893 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 99' ' ' VAL . 28.3 m-85 -131.65 93.79 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 72.31 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.25 -109.97 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.464 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.58 25.47 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 74.23 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -150.29 139.07 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.885 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.68 124.05 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -111.26 172.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.913 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.56 160.56 42.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.854 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -130.46 117.28 19.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.891 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 113.74 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.872 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.43 128.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.404 ' C ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -104.78 147.6 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.887 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -138.21 167.05 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.93 -169.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.7 33.41 5.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.491 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.53 -41.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 75.43 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.54 0.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 61.41 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 135.92 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 74.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -98.94 152.35 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.912 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -171.19 169.3 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.01 110.868 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -92.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -81.87 -52.76 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.943 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.65 -38.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.66 141.85 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.25 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 5.4 pttp -140.93 167.09 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.02 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -157.33 178.18 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -88.41 -43.29 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.911 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.63 164.58 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.82 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 95' ' ' PHE . 16.9 mt -69.24 -56.25 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 71.2 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 129' ' ' ASN . 5.0 t30 -37.72 -44.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.872 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.27 86.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -65.11 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 63.52 110.901 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 52.2 t -64.54 -37.35 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.04 111.13 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.06 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 71.55 110.88 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -52.85 -57.36 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.978 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -56.96 -28.69 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 64.04 110.831 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -72.94 -25.86 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 75.55 110.863 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -96.44 -12.93 23.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.853 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.7 t -120.41 154.19 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 75.43 111.126 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.2 p -42.8 160.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 65.23 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.47 -52.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.12 111.095 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.57 139.09 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.858 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.57 33.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -129.87 -52.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.833 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -124.96 -179.52 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.883 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -105.27 91.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.1 147.08 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.44 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.88 154.34 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.9 108.97 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 71.25 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.08 137.49 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -63.84 108.92 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.467 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.5 tt -57.23 149.7 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 153' ' ' GLN . 2.8 mt-10 -106.12 95.43 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 152' ' ' GLU . 19.2 tp60 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.891 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.601 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.822 0.344 . . . . 73.33 110.944 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -127.75 152.84 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.875 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 3.4 m-85 -141.58 133.32 27.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.918 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.71 -115.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 72.13 112.44 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.7 101.18 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.299 . . . . 74.42 110.885 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.95 139.88 33.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 74.52 111.151 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.74 141.33 45.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 75.32 112.331 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.0 ttm180 -35.16 -41.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.0 -57.64 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -43.45 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.22 -56.34 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.55 111.105 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -53.9 -31.89 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.86 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -73.29 -45.78 53.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.853 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.2 mmt -55.64 -32.05 62.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.11 -49.93 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.02 110.931 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -46.94 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -55.17 -19.51 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.32 110.905 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.451 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.8 mm-40 -72.21 164.05 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 64.51 110.893 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -101.15 -38.18 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.871 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -62.91 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.54 110.887 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.78 107.54 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 70.23 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.82 21.17 2.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 63.23 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.21 128.01 34.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 62.14 111.087 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 132' ' ' VAL . 2.0 p90 -110.73 149.63 30.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.688 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 6.6 tt -152.2 113.81 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.86 112.39 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.084 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.59 154.31 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.842 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.97 135.69 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.857 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -44.22 165.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.15 110.851 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 -18.73 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.05 110.833 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.32 5.36 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.51 110.855 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.55 94.76 45.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 71.5 111.114 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.8 7.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 74.14 112.364 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.04 -14.62 40.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 70.53 112.514 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -72.35 131.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.11 110.917 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.461 ' CG ' HD13 ' A' ' 128' ' ' LEU . 50.2 m-85 -124.01 132.88 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.883 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 p -138.62 120.82 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.854 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.6 tm? -90.04 134.91 33.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 75.52 110.946 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.456 ' N ' HD13 ' A' ' 97' ' ' LEU . 6.4 t -119.76 112.71 19.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 72.43 110.807 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.56 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.43 139.34 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.13 111.133 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -85.98 134.78 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.51 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 12.9 m-85 -139.17 92.05 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 72.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.19 -130.21 21.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.519 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -91.56 15.14 13.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 71.13 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.35 122.44 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.854 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.8 t -88.67 115.32 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.167 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -91.89 173.73 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -145.69 167.03 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.872 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -139.15 126.38 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.2 123.68 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.38 130.54 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 71.42 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 2.0 mm? -100.1 148.23 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.903 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' NH2' ' OD1' ' A' ' 94' ' ' ASP . 10.0 mtm105 -136.09 121.78 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.853 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.92 176.1 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.843 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.23 -58.43 4.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 71.42 112.502 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -178.59 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 70.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.46 23.43 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 71.43 112.448 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -97.92 146.45 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 74.14 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.478 ' CD1' HD23 ' A' ' 128' ' ' LEU . 16.0 m-85 -109.09 160.98 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 7.0 p90 -170.9 166.12 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.891 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.31 -84.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.924 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -79.46 -81.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 70.53 110.933 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.409 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 12.6 p -134.58 10.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.105 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 p -115.23 145.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.5 111.146 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -142.92 166.97 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.926 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 33.7 m-85 -158.13 178.32 10.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.888 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.31 -47.58 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.16 161.55 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.902 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 118' ' ' TYR . 42.6 mt -67.54 -35.25 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.04 110.905 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -50.81 -42.73 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.838 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -55.76 -24.41 35.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -41.98 18.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 73.13 110.925 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 83' ' ' PHE . 15.6 t -58.88 -42.18 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.33 111.148 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ARG . 1.9 t0 -74.29 -57.3 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.825 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.1 t80 -42.99 -36.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.918 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.504 ' ND1' ' CG1' ' A' ' 140' ' ' VAL . 17.0 m-70 -83.54 -29.9 27.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.859 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ASP . 4.7 ttt180 -59.05 -28.88 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.866 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.03 -29.13 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.87 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 92.6 m -107.81 136.12 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.23 111.154 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.1 p -52.62 159.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.504 ' CG1' ' ND1' ' A' ' 135' ' ' HIS . 3.4 m -127.49 -10.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.124 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.47 141.2 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.901 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 19.5 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.5 110.878 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -123.64 -42.82 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.01 -178.64 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -108.55 93.9 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.23 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 47.6 mt -133.38 156.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.419 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 27.7 m-85 -115.18 161.45 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 99' ' ' VAL . 6.6 tp -82.68 109.43 16.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 74.14 110.923 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -93.11 130.67 38.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.882 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 111.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.861 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 4.9 tt -57.87 150.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.125 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -99.4 95.4 7.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 65.11 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.806 0.336 . . . . 73.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.6 t80 -102.11 151.16 22.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.655 ' CE1' ' NE2' ' A' ' 153' ' ' GLN . 4.9 m-85 -137.29 131.75 32.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.96 -164.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 74.24 112.49 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -58.81 97.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.784 0.326 . . . . 74.51 110.921 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.23 137.03 29.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 73.41 111.149 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 75.21 112.354 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 10.5 mtp180 -33.13 -44.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.828 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -52.7 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.109 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.3 tptt -53.35 -48.17 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.94 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.063 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.38 -32.39 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.93 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -75.91 -44.19 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.53 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.6 mmt -55.45 -32.81 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.82 -44.35 10.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.938 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -55.6 -40.03 71.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.836 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -23.32 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.906 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -65.33 164.2 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -102.86 -32.22 9.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 74.02 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.8 -171.44 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 64.1 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -131.76 118.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.899 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.92 26.71 5.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 71.43 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.15 129.29 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 63.42 111.094 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -108.67 137.91 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.868 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -148.44 119.16 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 75.3 110.937 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.82 124.66 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.147 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -114.75 151.01 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.912 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 88' ' ' SER . 1.4 tt0 -97.81 146.97 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.873 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 72.8 m -69.57 162.27 27.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.853 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 1.5 mt-10 -87.14 -59.42 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.07 28.43 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.869 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.19 83.1 14.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 41.1 111.122 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.86 26.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 73.31 112.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.89 2.91 74.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.707 -0.759 . . . . 74.33 112.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.04 134.7 44.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 73.02 110.853 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' A' ' 128' ' ' LEU . 24.3 m-85 -123.85 139.86 53.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.844 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 p -137.98 124.78 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 64.13 110.834 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 98' ' ' SER . 37.7 tp -88.33 157.93 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 74.1 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -147.92 105.78 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.876 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.463 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -105.63 149.9 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 61.32 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -95.27 133.06 39.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 22.9 m-85 -132.06 99.78 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 64.14 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.22 -119.21 14.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 64.31 112.512 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.32 19.35 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 64.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.35 143.48 37.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.898 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -109.78 114.37 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.112 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -101.22 170.93 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.887 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.57 168.68 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -138.41 119.11 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.875 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 127.08 31.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.92 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.17 140.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 71.44 111.047 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 mp -121.21 165.92 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.88 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 134.89 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.851 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.9 165.55 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 63.34 110.852 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ALA . . . 79.84 -45.03 2.87 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 72.43 112.494 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 114' ' ' GLY . . . 161.47 -20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 74.31 111.132 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -166.65 -31.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.528 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.03 117.49 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.14 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -90.34 159.17 16.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.901 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -170.85 167.51 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 73.42 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.5 mp -136.3 -94.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.92 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -151.55 14.95 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.872 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.7 m -132.65 -31.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 72.44 111.169 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.0 p -168.25 171.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 61.43 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.902 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -154.27 177.01 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -46.27 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.3 m -118.1 174.21 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.874 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 95' ' ' PHE . 45.1 mt -74.31 -42.73 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.892 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -45.51 -50.83 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.902 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.98 -27.74 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.831 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 135' ' ' HIS . 0.1 OUTLIER -71.96 -49.43 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.929 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 133' ' ' ASP . 31.0 m -64.06 -31.12 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.114 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.438 ' N ' HG21 ' A' ' 132' ' ' VAL . 0.3 OUTLIER -66.68 -48.52 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.92 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -73.73 -33.33 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.907 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.519 ' CE1' HD23 ' A' ' 131' ' ' LEU . 1.5 m170 -71.39 -36.96 71.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 70.25 110.853 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 136' ' ' ARG . 2.7 ptm85 -75.38 -29.18 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -16.58 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.1 110.843 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -118.8 152.92 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.163 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -48.55 160.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.878 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 25.7 m -143.07 -36.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.12 132.21 34.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.85 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -88.6 22.13 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.46 -51.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 63.11 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -125.12 -174.87 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.04 87.0 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 23.0 mt -125.0 150.94 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 75.44 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.41 159.96 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.885 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 50.6 mt -72.6 108.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -77.04 136.03 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.19 112.92 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.7 tt -75.43 147.54 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.115 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.04 88.49 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 62.15 110.928 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.655 ' NE2' ' CE1' ' A' ' 62' ' ' PHE . 29.9 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.932 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.708 0.29 . . . . 71.12 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.1 144.45 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 72.23 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 84' ' ' LEU . 6.6 m-85 -128.51 127.94 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.89 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.11 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 108.99 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 74.31 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.94 145.87 52.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 74.52 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.4 Cg_endo -69.8 135.34 30.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 72.22 112.342 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' PRO . 18.0 ttm180 -33.41 -38.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' PRO . . . -56.41 -55.98 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.156 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -41.78 68.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.45 110.864 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.73 -61.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.2 111.104 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -52.65 -32.28 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.878 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.66 -44.82 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mmt -56.94 -36.61 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.59 -46.67 15.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -56.15 -47.15 78.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -21.91 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.943 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.1 mm-40 -67.51 169.49 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -109.8 -33.58 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.857 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.3 OUTLIER -69.03 -175.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.868 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.82 110.35 12.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.95 17.6 3.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 45.2 112.532 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.92 131.17 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 63.45 111.11 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CG1' ' A' ' 132' ' ' VAL . 4.8 p90 -121.87 154.53 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.868 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 62' ' ' PHE . 2.0 tt -157.05 120.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.453 ' CG1' HD21 ' A' ' 97' ' ' LEU . 58.3 mt -94.82 115.86 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -108.53 152.15 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.921 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.06 146.15 47.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.882 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.98 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 61.22 110.836 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -47.53 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.53 36.23 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.866 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.68 87.7 7.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 70.24 111.115 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.74 3.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 74.25 112.331 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.07 -18.4 5.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 71.44 112.507 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.32 110.21 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 74.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.54 136.13 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 p -141.6 127.8 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.4 110.851 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD21 ' CG1' ' A' ' 85' ' ' ILE . 3.3 tm? -91.37 134.21 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.949 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.45 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.84 111.09 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.882 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.628 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.55 138.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -84.57 134.71 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.25 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.628 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -139.97 92.16 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.872 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.22 -123.22 9.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 54.24 112.472 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.05 10.95 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 65.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.74 126.22 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.847 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.467 ' CG1' ' OE2' ' A' ' 71' ' ' GLU . 76.1 t -90.87 122.31 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.159 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 83.6 mt-30 -91.56 173.78 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.869 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' CE1' ' OE2' ' A' ' 71' ' ' GLU . 1.8 m-70 -142.79 158.7 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -137.31 110.34 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 120.67 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.896 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 52.4 t -83.54 127.67 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 75.4 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 142.22 32.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.868 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.08 134.19 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.14 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.62 172.07 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.85 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.88 -68.84 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 61.21 112.51 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.13 -56.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.4 111.134 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.42 39.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 72.03 112.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -105.73 109.17 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 72.35 110.905 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -88.77 154.5 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.958 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -168.82 166.24 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.91 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.29 -94.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -74.24 -71.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.899 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.2 m -132.98 -31.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 71.45 111.133 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 134' ' ' TYR . 9.1 p -71.7 142.08 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -136.6 166.53 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.914 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 123' ' ' VAL . 89.2 m-85 -158.33 175.94 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.1 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.33 -45.62 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.929 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.8 p -107.58 156.58 18.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.818 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.9 -44.07 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 73.05 110.928 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -44.65 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -43.05 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.898 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.77 -55.22 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.898 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.51 ' CG1' ' CZ ' ' A' ' 83' ' ' PHE . 87.8 t -48.54 -42.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.15 111.121 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.04 -59.66 4.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.876 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.476 ' CD2' HG23 ' A' ' 123' ' ' VAL . 10.6 t80 -49.36 -32.91 12.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -28.88 60.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -29.7 61.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -94.61 -14.56 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.9 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 73.0 m -119.26 150.92 39.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 64.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.7 p -45.19 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.8 t -128.44 -57.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.152 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.8 138.67 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 72.52 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -87.07 29.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.845 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.99 -48.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 54.24 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 -167.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.928 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -110.45 89.42 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -131.89 151.05 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.52 111.109 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -112.88 168.42 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 110.49 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.909 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -90.49 134.79 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.27 110.82 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.1 tt -52.82 143.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' GLN . 3.8 tt0 -81.54 91.73 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.898 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 152' ' ' GLU . 1.5 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.87 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CB ' ' CE2' ' A' ' 83' ' ' PHE . 2.6 p-90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -92.4 142.81 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 73.34 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 84' ' ' LEU . 18.0 m-85 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.55 -103.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.52 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -113.45 103.04 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 74.31 110.864 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.57 134.76 16.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 73.23 111.135 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.65 58.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.44 112.381 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.4 ptp85 -41.16 -37.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.845 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -58.81 -56.46 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 65.3 111.09 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.02 -46.44 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.54 -54.01 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 75.42 111.071 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.58 -34.74 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.853 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.88 -39.34 61.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.896 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.0 mmt -65.98 -33.05 74.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.844 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 mt -81.05 -43.27 19.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 70.32 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.414 ' HA ' ' CD ' ' A' ' 100' ' ' LYS . 3.2 t -61.49 -42.94 99.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -24.16 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.839 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.6 mm-40 -65.46 167.07 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.886 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -102.29 -35.3 8.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.863 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.63 -173.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.841 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -131.7 112.58 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.01 25.02 4.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 74.2 112.469 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 135.58 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.51 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.444 ' CE2' ' CB ' ' A' ' 60' ' ' TRP . 19.8 p90 -111.1 149.47 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 62' ' ' PHE . 1.1 tt -156.95 114.66 3.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.945 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.9 mt -90.43 119.78 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.05 111.178 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -110.8 152.2 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -105.46 129.1 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.03 110.913 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -63.29 138.91 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.884 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.16 -37.85 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.869 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 p -85.69 -11.21 54.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.798 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.49 94.82 34.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 74.33 111.127 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.82 31.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 74.12 112.332 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.87 18.58 67.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 71.11 112.522 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.61 122.94 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 75.24 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -109.19 137.39 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.844 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -139.92 128.87 23.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 61.44 110.841 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.6 tm? -92.07 137.77 32.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.46 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -125.59 110.86 14.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.856 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -109.03 144.44 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.113 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' CD ' ' HA ' ' A' ' 75' ' ' SER . 6.1 ttpm? -96.41 129.93 43.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.925 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 26.2 m-85 -126.39 92.36 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.908 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 62.4 112.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.14 15.0 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 71.35 110.896 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.76 124.87 20.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.883 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.99 121.27 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.142 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.36 173.65 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.25 163.81 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.876 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.87 118.29 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.916 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.895 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.72 125.6 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.52 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.944 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 145.89 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.877 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.25 -175.64 3.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.871 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.09 38.44 3.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 62.21 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.2 -44.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 71.43 111.09 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.75 30.3 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -117.44 151.98 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 74.1 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.67 150.18 47.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 2.5 p90 -171.27 -177.59 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.879 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 135' ' ' HIS . 8.3 mp -124.89 -96.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.908 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.43 1.76 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.911 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.82 -72.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 125' ' ' PHE . 12.5 p -81.12 152.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -157.85 147.76 20.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.922 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 48.2 m-85 -153.46 179.38 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.932 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.501 ' CG ' ' N ' ' A' ' 127' ' ' SER . 2.7 p30 -85.29 -52.38 5.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 126' ' ' ASN . 83.0 p -91.64 171.21 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.857 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.25 -43.63 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -40.76 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 1.6 mt-10 -62.87 -33.16 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.838 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.61 -62.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 133' ' ' ASP . 27.4 m -49.97 -28.57 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 132' ' ' VAL . 12.6 t0 -67.56 -57.71 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.852 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.4 110.876 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.502 ' CE1' HD23 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -73.84 -38.7 64.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.838 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.408 ' CB ' ' HB2' ' A' ' 148' ' ' LEU . 36.3 ptt85 -75.98 -18.43 59.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.54 110.88 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.46 -15.13 19.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 54.25 110.876 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.44 152.27 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 73.15 111.101 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.41 ' C ' HG23 ' A' ' 140' ' ' VAL . 92.5 p -40.36 159.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.857 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 139' ' ' SER . 51.5 t -139.38 -42.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.127 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.86 134.2 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.869 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -85.52 22.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -53.33 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.907 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.43 -169.67 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.54 96.54 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 147' ' ' PHE . 33.0 mt -134.78 150.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.149 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 146' ' ' ILE . 23.5 m-85 -113.29 165.98 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.52 110.843 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 42.3 mt -81.75 109.71 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.1 110.935 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -76.85 134.1 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.4 104.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.443 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.4 tt -61.69 145.34 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.119 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -103.5 107.13 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.943 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.477 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 1.2 p-90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 75.43 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.8 t80 -91.2 140.68 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.857 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 11.8 m-85 -131.09 136.66 48.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.893 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.52 -148.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 71.5 112.492 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.96 92.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 74.22 110.901 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.88 130.25 18.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 74.33 111.166 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.56 67.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 74.35 112.345 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -36.95 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.79 49.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.05 111.101 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -47.7 -45.22 28.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.11 110.912 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.094 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 68.0 mt-10 -52.65 -34.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -73.14 -34.32 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.1 mmt -70.01 -30.57 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.88 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.29 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.926 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -60.77 -49.89 75.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.8 ptpt -49.66 -31.14 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.92 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 75.3 mm-40 -59.64 172.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.88 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -117.78 -28.45 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.888 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -71.27 -179.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.877 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.34 112.34 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.37 21.3 4.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.462 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.17 131.67 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 74.21 111.084 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -119.26 150.65 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.877 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -151.1 116.85 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.4 mt -91.45 130.73 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.118 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -121.44 151.75 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 88' ' ' SER . 31.2 tt0 -109.82 151.73 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 70.44 110.879 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.42 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 6.5 m -66.79 176.18 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.842 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.14 -37.62 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.96 -1.76 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.51 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.62 85.87 3.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.11 111.122 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.703 2.269 . . . . 75.21 112.34 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.38 -14.62 27.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 60.1 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.91 132.71 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 71.2 110.883 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.493 ' CD1' HD12 ' A' ' 128' ' ' LEU . 77.8 m-85 -128.41 143.57 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 120.37 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 83' ' ' PHE . 2.9 tm? -89.67 133.33 34.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 111.48 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.853 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.32 152.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.35 111.14 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 99' ' ' VAL . 5.8 tttm -104.24 131.45 51.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.927 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 31.1 m-85 -129.2 91.26 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.41 -113.72 5.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 53.44 112.515 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -106.88 25.11 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 73.34 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.58 121.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 62.55 110.811 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 74.5 t -90.24 109.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.124 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -95.35 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.542 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -150.17 170.17 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.823 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 107' ' ' HIS . 14.6 m-85 -144.42 123.35 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.891 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 108.51 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.36 130.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 74.44 111.113 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.0 mm? -98.94 143.3 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.953 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -139.85 134.95 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.881 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.74 173.99 12.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.18 -68.61 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 72.43 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -161.29 -53.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 75.53 111.057 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.77 32.66 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 53.41 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 127.8 45.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 75.3 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -95.9 150.47 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 1.7 p90 -164.49 151.25 11.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.858 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.39 -81.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.431 ' O ' ' CB ' ' A' ' 122' ' ' VAL . 68.3 m95 -96.03 66.86 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.431 ' CB ' ' O ' ' A' ' 121' ' ' TRP . 3.1 t 79.66 -43.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.52 111.164 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.454 HG23 ' CD2' ' A' ' 134' ' ' TYR . 1.4 p -63.45 136.38 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 65.12 111.134 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.5 ptmt -139.63 155.64 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -150.9 176.4 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.05 110.881 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.57 -39.63 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 60.11 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.1 172.65 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 95' ' ' PHE . 8.7 mt -79.82 -54.94 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.03 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.33 -36.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.893 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.45 -45.06 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -35.72 81.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.3 110.933 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 83' ' ' PHE . 53.4 t -64.92 -49.36 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.51 111.12 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.65 -56.34 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 3.7 t80 -48.48 -48.58 37.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.942 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -66.9 -24.95 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -24.9 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -96.03 -23.96 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.865 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.402 HG23 ' CD1' ' A' ' 134' ' ' TYR . 11.1 t -108.34 154.22 22.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 60.01 111.163 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.6 p -42.0 159.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.853 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 17.1 m -125.74 -46.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 61.33 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 144.01 25.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.848 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.66 29.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.66 -48.3 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.849 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.76 -171.95 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.928 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.67 99.79 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.951 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 90.7 mt -134.33 158.94 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 71.53 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.479 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 28.3 m-85 -117.09 156.61 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.9 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.519 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -78.28 111.59 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.67 140.37 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.858 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.26 115.98 16.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.864 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 6.4 tt -64.77 151.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 74.3 111.087 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.81 81.19 8.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.849 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.79 0.329 . . . . 75.33 110.937 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.32 139.82 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -129.06 132.17 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.857 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -92.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 74.03 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' HB3' ' A' ' 87' ' ' GLU . 2.2 mmtp -123.79 110.23 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 71.53 110.885 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 pp -137.32 135.43 19.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 74.24 111.117 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.0 Cg_endo -69.75 144.71 54.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 72.44 112.366 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.0 mmm-85 -33.55 -46.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.83 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -48.13 -52.76 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -55.16 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.081 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.51 -32.67 28.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 55.51 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.94 -42.62 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 71.41 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.49 -37.23 75.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.03 -40.42 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.928 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -60.85 -50.98 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 5.7 ptpt -48.68 -32.77 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 75.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' NE2' HG12 ' A' ' 151' ' ' ILE . 57.1 mm-40 -55.18 167.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.931 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 74.15 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -75.6 -166.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.852 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -130.57 114.98 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 62.44 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.55 25.71 3.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 71.03 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.08 114.44 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 74.51 111.107 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -104.4 138.36 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.92 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -147.84 115.23 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.898 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.6 mt -90.62 118.6 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.117 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.09 162.52 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.864 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' HB3' ' CE ' ' A' ' 64' ' ' LYS . 15.1 tt0 -105.14 142.84 34.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.43 110.892 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.07 150.0 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.864 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.92 -39.43 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.849 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -87.65 -7.61 57.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.91 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.13 81.59 50.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 63.41 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.82 24.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 75.5 112.327 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.72 57.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.51 112.489 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 171.73 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.342 . . . . 73.42 110.833 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -143.99 139.19 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p -137.83 123.14 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.7 tm? -88.13 132.74 34.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.93 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -120.05 110.38 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 54.24 110.842 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -111.71 144.81 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 70.13 111.122 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 99' ' ' VAL . 8.0 tttm -98.22 136.59 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 74.52 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' OG ' ' A' ' 141' ' ' SER . 15.5 m-85 -135.29 93.93 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.41 -100.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 74.21 112.507 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.89 26.69 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.21 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -143.53 114.37 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.5 110.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.104 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -102.23 173.74 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.957 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 165.81 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.834 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -130.81 135.01 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.914 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.26 118.14 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.931 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.5 129.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.42 111.106 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.23 152.76 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.891 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.491 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 12.4 mtp-105 -141.38 144.13 34.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -179.15 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.9 26.24 6.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 64.34 112.486 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.04 -40.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 71.41 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.08 37.76 0.24 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 61.13 112.5 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 117' ' ' LYS . 0.1 OUTLIER -115.08 125.12 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.738 0.304 . . . . 73.15 110.924 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 79.7 m-85 -90.44 148.53 22.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.901 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.56 142.16 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.4 110.857 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 121' ' ' TRP . 6.5 tp -109.28 -70.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.543 ' CD1' ' CD2' ' A' ' 120' ' ' LEU . 0.4 OUTLIER -179.44 -29.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.925 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 m -108.4 -11.65 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 72.44 111.119 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.62 150.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.143 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 150.02 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.925 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -152.78 175.3 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.8 -33.93 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 m -125.47 171.34 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 12.1 mt -73.72 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' CG2' ' A' ' 132' ' ' VAL . 7.0 p30 -37.76 -34.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.55 110.879 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.57 -45.27 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -51.3 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.32 110.919 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 129' ' ' ASN . 11.0 m -53.78 -41.25 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.132 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.5 OUTLIER -61.78 -65.68 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.86 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -43.88 -49.25 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.962 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 1.6 m170 -66.57 -26.61 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.897 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -72.49 -23.52 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.889 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.7 p -102.91 -16.69 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 139' ' ' SER . 86.2 m -125.44 140.16 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.24 111.171 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 138' ' ' THR . 78.1 p -41.74 161.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.35 110.874 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 47.6 t -141.95 -36.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.431 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -84.53 134.5 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.894 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.4 mtm105 -89.76 31.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -124.89 -56.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -123.77 -165.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.932 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -119.59 83.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 75.43 110.976 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.88 157.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -113.55 158.36 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 63.3 mt -73.08 108.95 6.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.939 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -83.31 139.45 33.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.33 105.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.824 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.443 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.4 tt -58.8 146.31 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.107 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -86.94 78.12 9.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.857 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.951 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 74.42 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -89.98 144.11 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 60.24 110.864 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 3.8 m-85 -133.2 135.13 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 74.34 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.78 -98.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 74.14 112.501 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HG2' ' CA ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -123.43 108.29 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 73.45 110.87 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.86 140.43 24.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 74.43 111.16 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.88 55.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 63.42 112.335 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -38.62 -36.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.94 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.11 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -47.39 -42.41 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 63.51 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.11 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.55 111.094 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.11 -34.46 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -71.88 -47.48 52.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 65.2 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.0 mmt -53.24 -32.22 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.02 -45.45 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.923 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -53.37 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.15 110.893 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.64 -21.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.3 mm-40 -68.96 -177.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 72.21 110.9 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.09 -35.68 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -64.48 -178.48 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.886 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.16 114.88 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.903 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.59 19.06 5.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 64.5 112.512 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.78 115.55 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.4 111.077 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 149' ' ' ARG . 42.9 p90 -104.43 149.56 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.884 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.14 123.8 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.902 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.98 136.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.32 111.144 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 155.66 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 88' ' ' SER . 9.3 tt0 -124.08 151.62 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.898 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 4.5 m -71.15 175.46 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.861 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CA ' ' HG2' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -104.01 -45.27 4.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.47 -8.2 23.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.876 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.43 92.44 16.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 73.44 111.103 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.25 27.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 75.02 112.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.43 -16.87 60.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -70.15 125.28 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 72.4 110.87 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' CG ' HD13 ' A' ' 128' ' ' LEU . 28.3 m-85 -138.85 141.87 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 m -147.06 131.04 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.03 110.89 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 98' ' ' SER . 15.0 tp -88.06 154.87 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.946 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.45 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 76.5 p -141.69 107.49 5.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 62.2 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -107.17 145.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 73.55 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -93.72 122.66 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 29.7 m-85 -123.68 96.09 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.55 110.897 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.13 -129.05 37.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 64.3 112.496 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.47 23.92 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 75.11 110.864 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.99 144.39 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.28 118.26 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.24 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -103.44 173.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -153.07 170.3 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.3 110.883 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -141.13 118.59 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.865 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 111.25 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 75.03 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.25 140.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.138 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.8 mm? -99.15 152.52 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.927 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -128.17 145.51 51.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.841 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -95.85 173.77 7.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.07 28.9 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 72.04 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.96 -38.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.32 111.112 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.69 33.86 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 61.53 112.511 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 150.23 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 74.22 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -114.67 140.3 48.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.93 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -152.43 173.06 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.841 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.29 -86.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 63.51 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -86.95 -75.29 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 8.5 p -134.31 5.34 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.01 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.41 140.42 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.145 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 160.49 37.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.53 110.919 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 73.1 m-85 -156.38 -176.82 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 73.34 110.874 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -50.25 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.55 178.91 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 51.24 110.883 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' A' ' 95' ' ' PHE . 69.6 mt -81.36 -32.84 32.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.508 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.0 OUTLIER -56.79 -41.0 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.2 110.846 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.415 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 2.5 mm-40 -62.0 -33.04 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -63.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 25.6 m -47.05 -31.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 61.45 111.133 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -59.49 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 4.5 t80 -46.97 -38.98 11.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.947 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.405 ' CB ' HD12 ' A' ' 148' ' ' LEU . 1.2 m-70 -80.55 -24.0 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.829 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.21 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -96.33 -28.55 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.836 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 139' ' ' SER . 87.2 m -118.74 143.21 47.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.158 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.446 ' N ' HG21 ' A' ' 138' ' ' THR . 88.1 p -40.82 160.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 53.24 110.876 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.427 HG11 ' CD2' ' A' ' 148' ' ' LEU . 5.8 p -139.42 -35.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 75.44 111.136 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.62 135.5 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.859 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.48 33.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.4 110.852 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.29 -54.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.91 -178.31 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 61.5 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 145' ' ' GLN . 9.6 pt20 -101.54 84.44 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.943 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.5 mt -130.45 154.69 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.45 111.153 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -114.05 -177.18 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.91 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.427 ' CD2' HG11 ' A' ' 140' ' ' VAL . 8.9 mt -90.01 108.96 20.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.939 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.7 mpt_? -81.03 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.16 106.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.893 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.428 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.9 tt -69.62 150.44 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.138 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -96.07 105.43 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 75.45 110.892 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.463 ' CG ' ' CE1' ' A' ' 83' ' ' PHE . 1.9 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 75.05 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -110.32 145.43 37.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 64.52 110.885 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CE1' HD13 ' A' ' 84' ' ' LEU . 13.9 m-85 -129.17 136.97 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.897 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.25 123.68 7.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 52.45 112.432 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 41.95 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.301 . . . . 75.45 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -150.37 134.87 9.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 65.12 111.136 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.72 58.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 62.14 112.349 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -44.73 -31.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.875 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.64 -52.6 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 61.2 111.113 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -54.53 -48.99 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.66 -57.14 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.12 111.107 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.14 -38.14 50.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.953 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.85 -41.57 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 36.7 mmt -60.77 -35.1 75.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.844 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.22 -55.47 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.885 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -52.35 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 71.42 110.855 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 73' ' ' MET . 0.6 OUTLIER -46.25 -32.23 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.906 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' NE2' HG12 ' A' ' 151' ' ' ILE . 60.3 mm-40 -59.0 170.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 64.52 110.882 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -107.62 -31.61 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.05 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.85 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -129.47 122.77 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 61.31 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.98 21.74 7.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.494 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.75 127.34 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 111.132 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . 28.0 p90 -106.9 148.39 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.878 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 62' ' ' PHE . 1.5 tt -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.34 110.929 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 95' ' ' PHE . 43.4 mt -92.43 123.6 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.143 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 147.32 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -94.78 132.99 38.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.06 142.16 54.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 72.21 110.892 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.76 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 70.42 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.91 9.63 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 73.34 110.872 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.4 82.74 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 63.44 111.121 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 115.76 4.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 73.21 112.359 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.91 -14.49 12.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.489 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 125.62 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 72.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 128' ' ' LEU . 2.3 m-85 -105.28 147.37 28.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.16 119.84 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 72.43 110.857 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.3 tm? -88.98 137.11 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.463 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -124.73 109.81 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.84 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -106.44 137.3 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 73.03 111.195 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -86.67 127.94 34.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.479 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 10.2 m-85 -131.41 105.34 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 52.98 -116.31 5.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 65.45 112.496 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -103.2 19.7 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 71.4 110.915 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.12 126.34 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.851 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.98 112.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.18 173.62 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.33 164.69 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.902 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.27 126.16 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 116.82 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.03 110.878 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 111' ' ' LEU . 87.8 t -90.73 137.89 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.53 111.1 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.8 mp -118.21 145.93 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.893 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.559 ' HG2' ' CD2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -137.18 149.45 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.908 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -153.25 170.45 20.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.24 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.38 -70.67 2.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 55.43 112.47 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.6 -60.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 72.4 111.119 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.8 38.24 1.29 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.472 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -103.98 116.41 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 65.55 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 7.0 m-85 -97.36 158.1 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.876 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -166.39 155.26 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.89 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -148.4 -76.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 71.31 110.923 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.506 ' O ' ' C ' ' A' ' 122' ' ' VAL . 97.0 m95 -96.92 98.43 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.928 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.506 ' C ' ' O ' ' A' ' 121' ' ' TRP . 3.4 m 28.9 41.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 73.45 111.161 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.554 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 9.7 p -154.07 152.19 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.118 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.575 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -131.79 170.82 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.913 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -156.56 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.904 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.81 -34.09 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 p -132.17 169.31 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.45 110.89 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 95' ' ' PHE . 13.3 mt -79.37 -44.71 20.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.937 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -36.57 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.75 -25.63 65.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.906 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -78.48 -56.52 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.933 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.6 m -54.85 -35.91 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 72.3 111.139 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -66.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -48.97 -31.62 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.911 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -77.82 -27.89 50.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.826 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -73.71 -24.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.5 110.912 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 89.5 p -94.64 -26.69 16.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 74.55 110.84 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -111.21 153.55 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -45.54 159.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.882 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.4 -35.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 64.21 111.083 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 2.3 p -85.91 153.88 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.85 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.92 9.36 43.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.3 -38.99 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -134.21 -174.26 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.35 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -107.35 58.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 147' ' ' PHE . 56.4 mt -93.16 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.23 111.104 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.467 ' N ' HG23 ' A' ' 146' ' ' ILE . 22.6 m-85 -121.63 170.25 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.869 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.418 ' CD2' HG23 ' A' ' 99' ' ' VAL . 41.3 mt -81.96 108.85 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 75.32 110.947 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -78.7 137.63 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.02 115.18 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.838 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.432 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.57 130.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.15 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.23 94.24 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.903 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.5 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' N ' ' OE1' ' A' ' 153' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.838 0.351 . . . . 75.31 110.919 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.4 t80 -106.53 148.57 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.902 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 7.2 m-85 -133.26 140.46 47.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.869 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.03 127.38 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.506 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 44.72 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 74.43 110.927 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.46 ' CD1' ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -139.96 124.59 11.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.12 111.18 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.2 Cg_endo -69.81 143.69 51.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 75.4 112.314 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.4 mmm-85 -33.12 -46.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -53.11 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.126 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.7 tptt -50.99 -53.07 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -57.29 -52.13 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 44.03 111.107 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -54.87 -32.26 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -74.61 -47.32 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.869 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.498 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 29.7 mmt -55.44 -36.13 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 65.2 110.933 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.5 -51.5 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -52.59 -38.64 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 75.42 110.848 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.2 ptpt -62.58 -28.9 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 70.42 110.913 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 73' ' ' MET . 37.7 mm-40 -60.73 168.44 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.11 110.968 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.4 -32.42 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.844 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -65.96 -172.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.876 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -128.02 111.55 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 63.12 110.86 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.97 23.31 3.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 64.43 112.463 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.05 126.55 28.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 74.24 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 34.5 p90 -112.5 148.22 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.855 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -154.5 120.29 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 74.03 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 97' ' ' LEU . 66.5 mt -98.36 128.29 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.108 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HB3' ' CG1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.86 163.48 16.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.89 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 64' ' ' LYS . 23.5 tt0 -107.78 132.29 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.9 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.38 129.95 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.841 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 64' ' ' LYS . 6.8 pt-20 -70.18 -39.44 75.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.907 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 p -88.62 -10.33 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.1 93.27 30.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 64.1 111.069 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 125.38 12.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 73.14 112.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.22 30.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 73.53 112.495 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.83 122.44 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 73.01 110.87 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 128' ' ' LEU . 34.3 m-85 -102.47 141.37 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.0 p -142.35 120.89 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.1 110.889 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' A' ' 85' ' ' ILE . 15.2 tp -87.9 150.46 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.928 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.1 t -139.97 105.99 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.836 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.517 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -98.94 149.58 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.42 111.139 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' N ' HG11 ' A' ' 99' ' ' VAL . 44.5 tttt -93.69 133.08 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.883 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.517 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 14.8 m-85 -134.08 94.35 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.18 -105.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 60.02 112.47 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 26.44 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 71.15 110.92 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -145.03 121.25 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.85 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.18 106.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.161 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -93.85 173.74 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.94 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.53 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.02 165.46 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.894 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -131.89 129.45 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.836 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -76.51 112.84 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.5 130.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.05 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.84 146.43 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.899 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -146.1 159.01 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.858 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -97.61 -176.2 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.11 34.73 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 71.32 112.459 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -130.25 -45.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 64.33 111.083 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.14 30.6 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 64.41 112.473 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.75 135.0 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 74.01 110.871 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 52.0 m-85 -101.22 159.53 15.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.496 ' CZ ' ' HA ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -171.25 151.75 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.902 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 mp -150.25 -79.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.939 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' VAL . 69.9 m95 -88.99 90.13 8.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.919 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' TRP . 21.9 m 34.03 33.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 73.52 111.126 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 121' ' ' TRP . 8.1 p -137.26 147.9 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.098 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.22 162.57 25.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.864 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 130' ' ' GLU . 3.1 m-85 -156.23 179.27 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.11 110.905 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -94.49 -34.05 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.929 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.28 -176.37 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.861 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 95' ' ' PHE . 89.8 mt -74.7 -44.68 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -47.65 -48.63 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.899 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 125' ' ' PHE . 1.3 mm-40 -61.25 -23.27 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.858 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -58.24 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.907 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 133' ' ' ASP . 33.9 m -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 75.25 111.118 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 132' ' ' VAL . 7.6 t70 -74.0 -59.64 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.899 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 1.1 t80 -42.29 -40.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.927 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.56 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -73.84 -38.28 64.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.87 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -56.5 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 73.25 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.95 -34.25 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.864 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 139' ' ' SER . 6.4 m -129.97 136.24 49.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 72.13 111.098 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 145' ' ' GLN . 60.6 p -67.79 158.96 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 53.41 110.86 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 135' ' ' HIS . 6.2 m -131.93 -6.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.55 111.153 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.3 151.2 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 65.33 110.891 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -92.42 -3.21 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -90.82 -53.57 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 177.17 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.942 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 139' ' ' SER . 19.0 pt20 -105.91 52.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.903 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 4.5 mt -78.33 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.131 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.445 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 23.8 m-85 -118.29 152.27 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.928 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 135' ' ' HIS . 19.2 mt -69.06 110.41 4.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -86.89 131.47 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 112.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.467 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.1 tt -68.05 147.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.21 87.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.907 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.4 ' OE1' ' N ' ' A' ' 60' ' ' TRP . 7.4 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.737 0.304 . . . . 74.34 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.2 t80 -127.62 152.16 48.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.879 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 12.6 m-85 -134.97 134.19 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.893 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.77 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.506 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -101.82 96.03 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.313 . . . . 75.44 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 1.5 pp -136.41 138.93 28.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 73.23 111.123 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.3 64.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 74.15 112.359 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -45.04 -30.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.839 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -64.99 -52.79 54.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -46.17 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 65' ' ' ILE . . . -53.03 -55.39 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.3 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -52.12 -34.3 43.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.35 110.868 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.18 -39.34 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.9 mmt -60.91 -35.52 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.82 -48.66 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.884 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.2 t -51.62 -39.96 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.866 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -63.39 -23.64 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' NE2' HG12 ' A' ' 151' ' ' ILE . 51.5 mm-40 -64.11 177.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -116.06 -37.14 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.887 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.589 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.27 -170.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.02 110.878 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -132.3 114.17 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.862 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.47 22.75 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 54.13 112.452 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.35 123.75 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 73.01 111.082 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -104.26 143.27 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.894 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.63 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 1.9 tt -155.85 113.86 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.909 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.3 mt -94.95 121.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -107.75 149.05 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.915 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -104.4 140.8 37.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -54.23 152.43 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.2 110.818 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.1 -58.02 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 72.55 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -105.64 21.77 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 54.15 110.862 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HB1' ' CB ' ' A' ' 88' ' ' SER . . . -131.89 79.69 67.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 64.13 111.066 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 73.44 112.37 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.23 -15.68 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.463 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -90.08 130.33 36.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 71.14 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 128' ' ' LEU . 69.1 m-85 -117.31 136.23 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.866 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -135.8 121.22 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 71.13 110.864 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.19 149.74 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 73.23 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -137.24 107.4 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.83 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.12 130.94 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 72.23 111.114 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -80.08 136.14 36.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 70.35 110.867 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 11.9 m-85 -132.8 100.44 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.899 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.17 -107.52 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 53.11 112.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.93 16.66 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.55 110.907 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -138.55 126.7 22.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.836 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.31 131.85 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.103 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.64 173.28 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.932 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 159.64 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.03 110.846 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.75 131.35 46.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.896 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 112.4 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.4 t -86.42 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 64.45 111.181 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 111' ' ' LEU . 7.9 mp -110.31 147.99 32.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.852 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 130.89 46.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.871 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.33 172.89 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.8 -65.3 2.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 65.42 112.506 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 73.1 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.31 23.81 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.477 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -90.86 129.38 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 75.25 110.868 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -101.45 135.58 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -144.01 170.13 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.885 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.48 -91.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.03 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -83.42 -70.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.929 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.83 2.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.45 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -105.84 143.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 74.33 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 158.59 43.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.951 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.497 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 52.5 m-85 -153.06 -177.24 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -95.68 -44.32 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 76.6 p -114.42 164.52 13.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.864 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' A' ' 95' ' ' PHE . 40.6 mt -71.96 -31.52 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.919 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.505 ' ND2' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -53.38 -38.74 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.835 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.505 ' N ' ' ND2' ' A' ' 129' ' ' ASN . 25.4 mm-40 -59.59 -23.74 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.93 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.27 -54.36 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.478 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 23.1 t -47.85 -40.81 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 64.54 111.17 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.28 -53.83 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 73.02 110.831 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -39.92 -40.51 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.953 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.441 ' CB ' HD11 ' A' ' 148' ' ' LEU . 8.9 m80 -82.86 -36.63 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 72.04 110.86 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -53.26 -21.58 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.4 -23.02 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.889 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 139' ' ' SER . 61.9 m -108.4 140.21 42.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.23 111.127 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.438 ' N ' HG21 ' A' ' 138' ' ' THR . 57.8 p -39.5 159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.884 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.7 t -132.59 -39.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 137.43 32.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.881 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 0.1 OUTLIER -85.29 -6.94 59.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.914 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.03 -44.06 7.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.23 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -131.66 179.01 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.13 99.82 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.498 HD11 ' CE1' ' A' ' 101' ' ' PHE . 57.4 mt -127.45 153.28 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.12 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -114.62 145.35 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -66.16 109.16 2.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -88.59 140.0 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.875 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.54 111.52 6.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.895 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -58.56 144.04 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.147 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 79' ' ' HIS . 1.4 mp0 -80.15 79.75 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.838 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.455 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 64.12 110.944 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.2 t80 -127.91 152.97 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 84' ' ' LEU . 11.9 m-85 -139.37 143.4 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.846 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.05 116.38 5.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 44.33 112.485 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.84 96.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 75.05 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CD1' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -147.36 130.87 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 74.3 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 145.1 56.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 62.3 112.372 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -33.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.911 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.16 67.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.89 67.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -52.1 -50.64 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.105 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.6 -35.62 61.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.09 -43.47 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.23 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.6 mmt -59.69 -32.6 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.59 -51.41 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 65.32 110.925 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -50.53 -41.71 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.822 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 2.6 ptpt -59.42 -31.11 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.867 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 50.2 mm-40 -56.78 171.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.91 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -106.9 -36.65 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.31 179.39 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 112.03 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.86 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.7 24.65 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 75.02 112.44 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 132.65 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 72.44 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.528 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 4.7 p90 -103.95 146.65 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.882 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 62' ' ' PHE . 3.0 tt -153.67 115.66 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.1 mt -99.54 124.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.54 111.142 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.08 148.08 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.867 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -105.92 154.85 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.909 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 158.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.05 110.858 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 -63.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -109.97 39.83 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.861 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.34 84.54 14.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 71.45 111.105 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.65 2.14 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 74.12 112.33 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.4 -24.4 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 74.11 112.511 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -73.96 119.58 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 72.22 110.87 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 128' ' ' LEU . 60.4 m-85 -119.59 137.04 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.917 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t -135.79 120.1 17.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.852 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 98' ' ' SER . 5.0 tp -88.01 149.27 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.449 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 t -139.02 105.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.527 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -106.45 139.57 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -87.08 140.9 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.527 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 22.3 m-85 -136.28 101.01 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.87 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 54.7 -98.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 71.33 112.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -121.11 28.47 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 71.22 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.09 121.82 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.865 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.29 113.56 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.4 111.179 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -103.15 173.62 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.63 166.28 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.867 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.19 119.18 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.875 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 104.38 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.88 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 t -64.88 119.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.31 111.134 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -84.25 116.98 23.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.921 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.25 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.863 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.31 -179.91 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.842 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.77 35.45 2.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 55.45 112.478 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.58 -45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 70.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.79 33.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 61.11 112.453 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -116.44 154.13 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 73.21 110.888 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.41 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 62.3 m-85 -127.82 153.32 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.912 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 1.3 p90 -169.08 170.43 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 73.54 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.495 ' CB ' ' CD1' ' A' ' 121' ' ' TRP . 3.4 mt -122.7 -58.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 75.31 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -164.62 -33.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.93 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.1 32.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.25 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.8 138.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 75.45 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -138.74 149.38 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 73.51 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.5 m-85 -151.77 -179.88 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.852 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -38.1 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 65.54 110.927 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.29 159.96 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.889 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 95' ' ' PHE . 7.7 mt -65.54 -36.04 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.926 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -49.04 -43.47 40.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 1.8 mp0 -54.3 -28.19 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.855 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.3 mp -82.56 -44.62 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 78.6 t -59.15 -39.13 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 136' ' ' ARG . 34.1 t70 -76.49 -63.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -41.27 -40.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.481 ' CB ' ' CD1' ' A' ' 148' ' ' LEU . 22.0 m80 -78.31 -31.46 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.1 ttp85 -57.13 -29.83 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.893 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.8 p -103.19 -33.59 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 65.22 110.871 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' HIS . 46.2 m -104.07 137.6 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.106 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.8 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 73.22 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 148' ' ' LEU . 7.2 p -131.17 -6.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.141 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.2 p -110.27 146.0 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.903 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.0 28.18 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.809 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.99 -49.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -126.17 -178.58 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 71.5 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.51 94.01 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 147' ' ' PHE . 14.2 mt -134.7 146.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 72.21 111.192 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.481 ' N ' HG22 ' A' ' 146' ' ' ILE . 20.4 m-85 -112.45 165.47 12.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' A' ' 135' ' ' HIS . 17.3 mt -78.7 108.32 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.465 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 10.9 mmt180 -77.47 138.89 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.8 tt -74.56 148.67 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.143 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.12 101.66 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 64.02 110.917 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.699 ' CZ2' ' CG2' ' A' ' 132' ' ' VAL . 1.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 75.44 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -126.42 151.99 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 74.42 110.822 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 15.1 m-85 -131.82 143.81 50.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 74.43 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.14 99.94 2.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 71.22 112.499 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 52.09 104.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 75.44 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.2 pt -146.61 136.71 12.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 74.4 111.117 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 69' ' ' LYS . 53.8 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 75.54 112.36 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.88 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -49.74 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.02 111.134 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -59.75 -48.06 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.928 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.19 -56.29 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.77 -34.7 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.873 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.29 -42.44 65.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.845 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -60.35 -29.27 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.16 -55.58 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.953 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -41.81 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -19.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 58.1 mm-40 -75.15 170.28 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.93 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -109.17 -28.81 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -70.94 -169.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 64.3 110.876 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.53 116.1 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.833 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.74 23.76 5.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 72.31 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 129.15 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 75.04 111.113 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -108.97 145.33 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.899 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 62' ' ' PHE . 3.5 tt -149.89 113.61 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.566 HD13 ' CH2' ' A' ' 60' ' ' TRP . 22.3 mt -89.76 123.37 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.097 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 142.33 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 62.53 110.868 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -102.59 156.74 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.52 110.867 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 m -91.46 160.91 15.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.845 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -49.93 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 4.23 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 61.32 110.876 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.38 88.82 8.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 75.23 111.055 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 111.42 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 72.43 112.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.21 -15.35 9.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.93 121.75 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 74.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 128' ' ' LEU . 59.4 m-85 -117.38 143.71 45.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -142.64 122.96 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.1 tm? -94.59 135.51 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 73.14 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 97' ' ' LEU . 17.6 m -121.9 110.57 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.835 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.37 138.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 71.22 111.168 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -89.09 139.22 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.509 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 17.4 m-85 -137.94 92.42 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.01 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.67 -98.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 63.43 112.47 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -120.67 21.66 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 71.52 110.922 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -141.77 121.83 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.88 102.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 73.54 111.115 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -84.83 173.81 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.924 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -148.87 169.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.87 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.48 124.46 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.874 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 114.74 16.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.27 134.34 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.134 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.5 mm? -105.17 137.95 42.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.973 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 124.67 25.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.864 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.81 175.28 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.52 -61.59 2.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.447 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -177.91 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 63.22 111.119 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.12 17.68 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 73.13 112.491 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 124.14 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 74.43 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.1 154.58 17.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.91 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 2.8 p90 -171.02 156.99 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 74.34 110.837 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 131' ' ' LEU . 4.4 mp -123.87 -94.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.919 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -76.43 -72.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 -33.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 70.04 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.539 HG21 ' CZ ' ' A' ' 125' ' ' PHE . 9.9 p -74.2 145.7 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.13 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 125' ' ' PHE . 7.6 pttt -138.7 167.31 22.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.917 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 123' ' ' VAL . 5.5 m-85 -156.41 -176.58 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.885 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -92.01 -56.72 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -103.01 177.31 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.903 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.516 HD12 ' CE1' ' A' ' 95' ' ' PHE . 61.7 mt -81.34 -27.07 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -61.84 -25.64 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.889 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.27 -26.09 60.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.866 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -80.86 -46.63 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.879 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.699 ' CG2' ' CZ2' ' A' ' 60' ' ' TRP . 7.2 t -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.109 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -57.98 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.22 -60.22 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 70.32 110.951 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CD2' HG12 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -57.66 -26.58 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.879 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.92 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.855 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.6 p -96.95 -20.39 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 71.21 110.827 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -119.74 153.02 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.159 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.8 p -39.96 160.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 54.44 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' A' ' 135' ' ' HIS . 35.4 m -138.35 -43.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 73.3 111.181 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.28 138.02 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.874 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -87.78 31.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.88 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -52.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.859 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.17 -165.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 71.15 110.941 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.93 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.35 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.0 mt -130.61 157.85 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.157 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -121.72 169.65 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.97 108.77 15.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 75.33 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.99 128.89 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -57.14 103.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 75.44 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.2 tt -60.64 151.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.138 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 87.07 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.886 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.433 ' HA ' ' CG2' ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 75.01 110.918 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 1.4 t80 -94.05 150.68 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 4.7 m-85 -132.3 145.21 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -96.82 119.32 6.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 63.04 112.508 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.5 mtmt 36.14 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 74.31 110.866 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.99 135.15 19.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 74.34 111.104 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.1 Cg_endo -69.75 142.41 47.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 65.21 112.347 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.1 mtp180 -34.05 -46.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -51.97 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -49.59 64.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 64.04 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.54 43.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 63.51 111.075 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 45.7 mt-10 -53.6 -30.97 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.921 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.14 -45.67 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 73.44 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 31.0 mmt -55.9 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.31 -41.1 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -57.59 -47.64 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.802 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -56.39 -26.37 52.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.47 ' NE2' HG12 ' A' ' 151' ' ' ILE . 44.9 mm-40 -60.46 163.6 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.871 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -104.49 -30.51 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.03 -176.06 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.912 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.95 108.47 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.835 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.14 21.31 2.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 63.23 112.509 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.52 134.64 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 72.52 111.032 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -112.54 142.23 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 6.0 tt -143.93 120.75 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.938 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.57 118.57 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -106.76 145.78 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.903 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 88' ' ' SER . 5.5 tt0 -100.4 147.9 25.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.915 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.454 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -76.45 168.63 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.844 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -58.25 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 15.83 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.877 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB1' ' CB ' ' A' ' 88' ' ' SER . . . -127.57 89.22 51.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 72.25 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.86 15.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 75.34 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.38 9.27 73.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 63.24 112.466 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.33 123.94 42.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 74.52 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' A' ' 128' ' ' LEU . 19.9 m-85 -121.6 144.03 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.926 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 t -139.24 123.42 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.04 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.7 tm? -95.3 139.0 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 73.54 110.916 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.456 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -128.75 111.36 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.33 110.886 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.523 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -108.22 140.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 74.54 111.137 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -88.1 136.68 32.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 15.6 m-85 -136.4 92.74 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.897 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.74 -108.01 2.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 75.43 112.517 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -110.22 24.82 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 73.34 110.885 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -144.19 135.15 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 72.04 110.864 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 61.3 t -101.75 100.22 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -84.91 173.49 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -153.89 168.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.883 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -141.95 120.6 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.89 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 116.68 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.917 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.61 138.3 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.32 111.174 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -104.25 136.03 44.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.937 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -121.64 173.31 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.831 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.55 176.85 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.871 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.96 24.13 5.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.436 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.27 -37.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 74.13 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.85 36.23 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 73.52 112.487 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.35 160.02 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 72.04 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -119.18 153.68 34.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -168.65 160.58 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 73.42 110.864 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -152.88 135.79 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.901 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 67.0 m95 61.8 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -140.46 -48.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.149 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 134' ' ' TYR . 8.9 p -47.78 153.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.34 111.174 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 8.6 mtmm -142.51 141.44 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 28.6 m-85 -153.4 172.27 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.927 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -94.09 -42.87 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.853 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.9 176.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.3 110.9 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 95' ' ' PHE . 78.0 mt -82.65 -39.99 21.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -50.52 -33.71 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.23 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -69.63 -37.2 76.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.928 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -55.78 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.903 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 34.6 m -52.36 -39.38 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 72.2 111.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -65.41 -62.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.562 ' CD2' HG21 ' A' ' 123' ' ' VAL . 23.2 t80 -44.82 -44.12 9.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.915 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.444 ' CB ' HD12 ' A' ' 148' ' ' LEU . 17.9 m80 -75.56 -22.17 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.836 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' ASP . 32.8 ttt-85 -68.12 -31.0 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.851 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.7 p -97.34 -26.12 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 97.6 m -109.12 134.24 51.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.54 111.132 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.0 p -41.16 162.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 53.12 110.839 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 94.0 t -136.02 -35.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 73.1 111.113 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -84.97 135.66 33.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.848 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.49 25.89 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.91 -43.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.868 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 170.27 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.893 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 83.04 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 41.2 mt -128.4 157.26 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 25.1 m-85 -117.23 172.07 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.866 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 135' ' ' HIS . 71.7 mt -85.11 110.49 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.52 137.27 34.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.01 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 105.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.863 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.47 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.3 tt -60.56 148.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.4 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.39 103.53 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.03 110.871 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.33 110.946 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.435 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 13.9 p-90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.312 . . . . 71.53 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -90.7 145.58 24.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 71.41 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 84' ' ' LEU . 21.9 m-85 -129.94 128.69 42.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.37 -93.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.452 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.26 109.05 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 73.51 110.922 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -146.8 138.74 13.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 74.14 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.65 51.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 74.14 112.372 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -39.42 -36.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.95 -59.03 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 61.05 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -41.94 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.845 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.07 -53.05 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.104 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 91.6 mt-10 -49.71 -36.55 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.849 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.73 -41.44 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.866 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.3 mmt -62.91 -32.33 73.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.869 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.51 -47.93 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -55.42 -46.75 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.851 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -52.92 -23.11 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.901 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.8 mm-40 -68.27 171.2 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -111.68 -29.32 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.17 -176.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.855 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -127.38 116.32 20.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.47 25.77 3.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 62.11 112.481 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.33 123.6 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 62.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 60' ' ' TRP . 5.8 p90 -106.88 135.78 47.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -148.53 120.09 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.896 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.5 mt -98.1 119.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.145 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -114.34 142.15 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.838 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.49 160.12 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.463 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -72.3 147.9 45.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.846 -179.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.95 -68.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 63.1 110.898 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -101.29 33.99 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.897 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 88' ' ' SER . . . -143.91 88.85 7.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 72.4 111.089 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 123.91 10.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.282 . . . . 72.31 112.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.05 -21.59 31.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 72.54 112.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.35 110.33 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 73.24 110.872 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 43.9 m-85 -101.64 139.03 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.929 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.2 p -139.88 119.86 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.2 tp -88.9 151.19 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.903 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 t -139.94 106.48 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.864 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -104.59 136.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.124 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.543 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.7 m-85 -113.06 93.2 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.921 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.44 -124.11 24.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 75.13 112.447 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -97.52 28.46 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 73.42 110.924 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 125.89 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.87 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.453 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 95.1 t -90.68 113.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.52 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -95.96 172.41 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.952 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -147.81 171.53 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.891 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -147.85 118.1 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.54 110.908 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 122.83 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.915 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -86.66 140.75 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.25 111.15 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.422 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 1.5 mm? -118.04 138.61 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.931 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.477 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -136.17 157.17 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.877 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.41 -176.9 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.854 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.06 36.55 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 71.24 112.46 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.57 -39.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 63.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 29.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.715 -0.755 . . . . 65.5 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -111.25 122.17 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.0 m-85 -91.66 153.53 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.89 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -168.22 170.62 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.863 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.32 -88.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -85.01 -71.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.962 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.36 -29.4 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.107 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 125' ' ' PHE . 3.3 p -75.49 149.88 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.127 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.414 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.1 pttp -143.69 166.13 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.896 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 131' ' ' LEU . 40.5 m-85 -155.12 177.17 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 74.24 110.895 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -87.38 -41.65 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 154.06 49.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.838 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 131' ' ' LEU . 17.8 mt -59.06 -27.09 65.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.893 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.97 -34.54 60.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -65.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.22 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -48.41 -33.56 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.93 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.32 -63.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.12 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -54.84 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.863 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.19 -50.72 36.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.963 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 2.1 m-70 -64.66 -18.88 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.88 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.14 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 65.23 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.7 p -104.86 -5.13 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.865 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 m -131.12 148.74 52.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 65.11 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 p -43.7 161.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.16 -37.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.21 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.8 t -88.75 142.54 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.889 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -88.33 26.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 75.53 110.899 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -130.06 -49.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -125.29 -177.64 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -107.34 61.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 147' ' ' PHE . 38.0 mt -96.78 147.89 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 62.51 111.102 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.446 ' N ' HG22 ' A' ' 146' ' ' ILE . 21.2 m-85 -113.18 167.47 10.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.882 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 40.2 mt -80.29 108.85 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.891 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -78.9 131.89 36.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.5 110.874 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 112.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.416 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.1 tt -71.89 139.48 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 73.42 111.097 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 4.0 tt0 -81.22 80.82 7.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.936 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.467 ' N ' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 71.42 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.99 152.83 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 2.3 m-85 -137.59 124.07 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.67 -93.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.467 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -131.84 103.56 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 72.34 110.899 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.88 140.19 35.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.633 0.73 . . . . 71.21 111.131 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.81 141.22 44.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 73.04 112.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.487 ' N ' HH21 ' A' ' 86' ' ' ARG . 1.8 ptm180 -33.39 -43.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.19 -59.19 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.121 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -46.3 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.0 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.108 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -59.54 -28.63 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.827 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.08 -44.4 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.13 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.1 mmt -59.33 -38.48 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.875 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.5 -40.41 23.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 75.35 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -58.96 -42.34 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -25.08 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -58.97 169.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.07 -22.65 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.889 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -82.38 -164.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.882 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.29 117.64 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.42 22.29 6.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 71.54 112.497 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 128.9 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.33 111.062 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.493 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 1.3 p90 -106.82 146.51 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.891 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.69 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 2.1 tt -154.04 114.08 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.3 mt -92.48 114.06 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.136 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.487 HH21 ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -109.12 152.56 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.865 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.78 142.72 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 m -72.21 161.78 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 70.42 110.888 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -37.4 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.858 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.25 3.68 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.879 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.77 95.31 35.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.7 . . . . 73.15 111.079 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.54 60.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 72.44 112.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . 62.39 24.88 66.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 74.24 112.462 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.44 121.72 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.42 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -115.21 140.05 49.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.895 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -138.57 120.22 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.795 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 1.9 tm? -88.62 137.09 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 75.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.409 ' N ' HD11 ' A' ' 97' ' ' LEU . 7.5 m -121.14 106.76 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.02 110.862 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.573 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -108.53 137.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.31 111.12 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -85.73 139.97 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.573 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 29.0 m-85 -136.2 92.81 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.89 -115.99 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.765 . . . . 73.14 112.522 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.33 6.61 44.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 73.1 110.912 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.34 131.83 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 75.23 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.437 ' CG1' ' OE1' ' A' ' 71' ' ' GLU . 92.9 t -99.48 137.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 74.33 111.143 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -117.36 173.53 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.45 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 6.6 m80 -137.52 171.94 13.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.859 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -144.22 119.32 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 115.12 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.13 110.879 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.57 128.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.34 111.157 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 119' ' ' PHE . 3.9 mm? -92.95 137.52 32.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -132.29 132.92 43.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.84 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.81 171.6 19.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 44.24 110.853 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 115' ' ' ALA . . . 80.75 -46.16 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 73.53 112.52 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' GLY . . . 167.73 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 70.12 111.117 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.41 19.86 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 73.44 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -92.09 133.4 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 73.35 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 9.2 m-85 -101.43 161.36 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 74.14 110.921 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 8.9 p90 -171.4 159.77 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -159.99 160.91 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.4 ' C ' HG23 ' A' ' 122' ' ' VAL . 98.5 m95 40.28 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 120' ' ' LEU . 13.8 t -141.17 69.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 125' ' ' PHE . 2.1 p -179.8 152.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.164 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 156.42 45.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.891 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 123' ' ' VAL . 61.2 m-85 -156.41 179.29 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.884 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -97.75 -43.5 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.51 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.61 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.876 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.9 -34.73 77.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.939 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.28 -39.56 60.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.928 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.443 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -58.08 -27.4 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.908 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 120' ' ' LEU . 7.5 mp -80.44 -44.4 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.23 110.938 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.493 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 18.7 t -57.47 -49.49 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.119 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.85 -54.13 30.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 43.42 110.863 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.482 ' CE1' HG21 ' A' ' 138' ' ' THR . 7.0 t80 -45.74 -53.16 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.915 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.429 ' CE1' HD23 ' A' ' 120' ' ' LEU . 40.4 m80 -66.54 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.11 110.808 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.856 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.0 t -99.7 -28.0 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.482 HG21 ' CE1' ' A' ' 134' ' ' TYR . 3.9 t -108.56 154.18 22.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.094 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.6 t -46.37 167.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 141' ' ' SER . 35.3 m -132.72 -37.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 70.51 111.161 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.544 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 40.9 p -94.78 163.06 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.33 110.855 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -102.47 21.62 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.864 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -128.01 -48.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -179.88 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.924 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -100.32 76.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.92 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 34.7 mt -99.81 158.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.453 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 25.0 m-85 -130.27 165.46 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 99' ' ' VAL . 13.0 mt -75.15 109.11 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 62.41 110.888 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -86.24 143.99 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -57.4 124.97 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -101.5 149.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.105 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.471 ' N ' HD13 ' A' ' 151' ' ' ILE . 0.1 OUTLIER -59.69 103.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.886 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.4 110.918 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 74.55 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -94.28 138.12 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CD1' HD12 ' A' ' 84' ' ' LEU . 14.7 m-85 -125.15 131.73 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.871 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -49.1 -91.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 73.12 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 101.42 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.696 0.284 . . . . 74.32 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.12 137.22 30.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 74.02 111.126 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.73 145.17 56.49 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.282 . . . . 74.0 112.31 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.3 ptm180 -36.23 -45.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.04 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -54.56 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.01 111.076 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -49.79 -38.02 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.94 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.26 94.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.35 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' SER . 1.6 mt-10 -68.44 -25.06 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.906 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.95 -40.55 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.21 -36.29 83.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.909 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 100' ' ' LYS . 15.3 mt -85.66 -47.32 9.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 70.4 110.919 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 29.6 t -51.32 -44.72 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.851 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -58.89 -26.53 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.52 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.452 ' NE2' HG12 ' A' ' 151' ' ' ILE . 54.1 mm-40 -61.41 164.46 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -105.39 -30.28 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 70.4 110.875 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.78 177.27 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.825 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.91 107.96 12.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 65.43 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.7 16.73 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 74.05 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -59.35 124.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 73.42 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 132' ' ' VAL . 19.5 p90 -106.9 150.7 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.837 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -159.91 113.79 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.93 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.4 mt -88.12 129.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.12 144.65 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.6 139.3 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 157.31 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.868 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.85 -49.47 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.856 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -10.77 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.863 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.47 89.76 50.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.555 0.693 . . . . 74.3 111.074 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 124.69 11.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 73.15 112.327 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.1 7.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 71.1 112.479 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.438 ' OD2' ' NZ ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -67.68 128.46 36.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 64.31 110.859 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 128' ' ' LEU . 46.1 m-85 -106.92 142.76 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.2 t -138.79 115.16 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 53.2 110.884 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.6 tm? -88.21 128.07 35.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.24 110.929 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.01 110.13 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.844 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.561 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -110.51 127.69 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 72.3 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 29.0 tttm -85.2 116.43 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 9.4 m-85 -114.61 96.64 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.36 -121.25 26.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 72.44 112.493 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.69 22.68 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.44 110.842 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.3 110.74 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 72.52 110.892 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.487 HG13 ' CG ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.07 120.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.53 111.11 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 2.1 mm-40 -101.78 173.83 6.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -143.66 164.19 31.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.838 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -135.14 128.46 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' NZ ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -77.34 116.95 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.904 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.17 119.2 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.113 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.93 143.56 26.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.911 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -136.9 174.36 10.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.887 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.13 -167.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.849 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.73 31.29 6.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 75.03 112.473 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.06 10.14 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.01 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.39 36.14 50.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 71.01 112.514 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.475 ' HZ2' ' ND2' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.336 . . . . 72.02 110.857 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -114.47 155.21 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.1 OUTLIER -171.39 163.33 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.5 110.853 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.8 -88.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 70.13 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -78.1 -145.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.863 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.8 m -76.29 46.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.11 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 125' ' ' PHE . 5.1 p -163.06 152.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 72.04 111.14 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.455 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -126.2 175.45 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.825 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.559 ' CE1' HD22 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -155.3 168.65 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.887 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.475 ' ND2' ' HZ2' ' A' ' 117' ' ' LYS . 3.2 m-80 -98.87 -42.53 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.868 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.2 t -127.55 167.06 16.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.83 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 95' ' ' PHE . 70.2 mt -70.8 -56.6 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -40.63 -35.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.892 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.05 -43.03 99.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 125' ' ' PHE . 5.3 mp -66.04 -49.52 67.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.928 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.531 HG11 ' CE2' ' A' ' 83' ' ' PHE . 82.7 t -53.08 -42.11 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.093 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.46 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.32 -23.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.929 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -79.15 -35.25 42.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 51.35 110.849 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -21.81 51.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 63.4 110.878 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 t -89.08 -30.45 18.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 139' ' ' SER . 3.2 m -123.04 147.84 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.164 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 138' ' ' THR . 79.1 p -41.75 159.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.832 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.9 -35.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.41 111.129 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 p -84.73 141.24 30.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.872 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 21.75 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.53 -54.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.869 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.51 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.909 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -109.67 88.57 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.09 163.9 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -122.85 173.74 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.897 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 99' ' ' VAL . 57.0 mt -84.03 109.2 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 54.42 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -79.95 138.45 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.851 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.09 110.34 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.866 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.452 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -68.39 143.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.133 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.51 84.65 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.897 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.943 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.679 ' CZ2' ' CG1' ' A' ' 132' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 74.02 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -123.68 151.06 43.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 84' ' ' LEU . 15.3 m-85 -133.8 139.27 46.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.872 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.53 112.64 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 31.43 112.528 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 2.3 mppt? 44.63 96.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 74.32 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 pp -145.24 136.27 12.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 64.3 111.112 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.4 45.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 73.33 112.348 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -35.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.905 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.83 80.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.1 111.04 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -45.15 87.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.867 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -55.04 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 74.54 111.069 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.25 -36.04 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.885 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.34 -47.41 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.827 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 76' ' ' LYS . 36.4 mmt -54.26 -34.0 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 82' ' ' ALA . 8.6 mt -83.26 -50.28 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.42 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -50.09 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 73' ' ' MET . 2.0 ptpt -48.09 -29.19 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.901 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 40.9 mm-40 -66.28 -179.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.943 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -128.15 -33.31 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 60.34 110.909 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.98 -169.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.825 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -127.89 124.92 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 149' ' ' ARG . . . 112.38 19.69 6.97 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.512 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -59.02 106.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 72.42 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -104.33 150.91 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.916 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -157.45 126.95 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 60' ' ' TRP . 56.6 mt -101.13 129.13 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.163 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 154.35 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.15 147.34 44.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.33 176.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.857 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -100.81 -36.8 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.904 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.54 14.07 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.84 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.37 94.67 42.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 74.33 111.076 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.68 19.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 75.31 112.363 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.0 -1.44 67.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 54.44 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.0 109.01 18.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 61.34 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 128' ' ' LEU . 72.5 m-85 -117.96 137.62 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.924 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t -135.0 124.06 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.99 138.0 31.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m -129.49 108.39 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 63.53 110.869 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -111.74 147.82 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 73.34 111.11 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.17 123.53 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.889 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 146' ' ' ILE . 12.5 m-85 -129.09 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -126.51 19.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 71.32 112.448 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.03 25.7 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.36 . . . . 74.54 110.909 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -147.69 126.67 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.63 113.38 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 64.35 111.148 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -94.38 173.16 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.25 168.42 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.828 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -144.93 115.59 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.1 110.67 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.869 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' HD21 ' A' ' 111' ' ' LEU . 57.4 t -76.04 131.39 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.131 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.0 mm? -109.8 151.47 26.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -150.68 158.34 44.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.897 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.34 172.03 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.98 34.76 2.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 73.43 112.517 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.69 -39.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 64.35 111.075 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.32 32.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 35.23 112.429 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.62 134.38 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 73.51 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -104.39 158.21 16.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.95 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -171.08 167.88 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.54 110.913 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.76 -77.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.569 ' CZ2' ' HD2' ' A' ' 142' ' ' ARG . 95.7 m95 -97.59 -67.5 0.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.922 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.26 -31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.104 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 148.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.163 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -138.04 172.91 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.895 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -158.0 170.78 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.866 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.17 -55.08 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 74.01 110.92 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -111.54 157.96 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.81 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 95' ' ' PHE . 70.3 mt -62.58 -23.76 67.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 75.11 110.956 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -34.96 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 62.01 110.875 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.1 OUTLIER -66.2 -22.57 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.898 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -56.59 4.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.921 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.679 ' CG1' ' CZ2' ' A' ' 60' ' ' TRP . 21.7 m -49.39 -42.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.126 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ARG . 18.6 t70 -76.46 -62.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.899 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 130' ' ' GLU . 20.1 t80 -37.18 -45.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.949 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 148' ' ' LEU . 83.4 m-70 -80.5 -30.97 37.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 73.25 110.824 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 133' ' ' ASP . 13.9 ttm180 -54.97 -28.84 54.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.871 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -113.35 -19.7 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.903 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.3 m -112.38 142.17 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 63.41 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -44.16 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.7 p -163.64 -35.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.3 t -85.76 126.08 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 75.1 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.569 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -81.09 -1.03 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -54.85 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.51 110.885 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.18 -172.99 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 53.23 110.878 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.67 72.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.533 HD12 ' CE1' ' A' ' 101' ' ' PHE . 85.3 mt -119.5 151.96 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.03 111.183 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -112.86 170.91 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.937 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 135' ' ' HIS . 15.7 mt -78.81 108.61 12.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.931 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HB3' ' C ' ' A' ' 81' ' ' GLY . 4.8 tpt180 -90.68 113.75 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.71 117.88 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 72.32 110.851 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.5 tt -68.45 152.76 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.46 103.93 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.843 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.912 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CG ' ' CE2' ' A' ' 83' ' ' PHE . 4.5 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 75.42 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.0 t80 -86.67 148.19 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.913 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 12.0 m-85 -142.69 135.9 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.44 -121.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 64.4 112.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HG2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -91.48 109.12 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 72.02 110.889 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.0 135.69 12.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 71.53 111.139 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.34 60.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.676 2.251 . . . . 74.24 112.332 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -42.8 -33.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.874 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -58.14 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.068 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.92 30.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.928 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.32 32.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 62.34 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 62.8 mt-10 -47.44 -37.47 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.02 110.931 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.35 -38.72 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.81 -37.44 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.41 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.63 -48.93 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.957 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 p -57.11 -43.36 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -55.34 -23.78 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.908 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.446 ' NE2' HG12 ' A' ' 151' ' ' ILE . 78.3 mm-40 -61.69 -173.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.04 -29.63 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.848 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -81.19 -170.73 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.857 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -127.74 119.11 25.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.29 19.17 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.43 112.509 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 125.12 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 72.33 111.083 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . 38.4 p90 -110.29 148.89 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tt -151.84 117.38 5.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.22 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -94.74 124.01 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.14 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 149.25 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -112.55 147.85 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -63.24 175.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.869 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -95.19 -56.46 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.902 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.0 2.85 32.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.54 110.839 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.18 82.56 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 74.41 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.34 112.347 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.4 10.04 30.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 64.22 112.453 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 1.4 t0 -103.65 143.8 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 71.23 110.858 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CG ' HD11 ' A' ' 128' ' ' LEU . 38.7 m-85 -142.86 137.23 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 p -139.15 121.33 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.2 tm? -89.86 135.97 33.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.15 110.904 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 97' ' ' LEU . 8.9 t -125.58 108.89 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.43 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.56 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.8 150.42 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.54 111.143 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 99' ' ' VAL . 16.1 tttm -99.28 122.11 42.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 14.0 m-85 -123.13 97.22 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.69 -122.49 17.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 64.54 112.479 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 21.45 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 73.12 110.909 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -141.59 133.88 27.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 61.41 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.438 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 60.5 t -95.02 106.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 70.53 111.149 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.39 173.6 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.504 ' CD2' HBC1 ' A' ' 174' ' ' DTF . 2.1 p-80 -157.91 164.51 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.84 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -143.14 114.46 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.418 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -62.48 122.59 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 65.14 110.921 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.7 t -89.53 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.02 111.122 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.5 HD12 ' CAT' ' A' ' 174' ' ' DTF . 2.5 mm? -109.39 179.52 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.884 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.79 156.31 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.842 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -152.46 146.92 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 74.03 110.869 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.48 -56.84 1.99 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.34 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 64.13 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.491 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -131.96 -23.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 40.02 112.508 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.91 125.26 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 74.21 110.864 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -110.55 169.49 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.946 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -171.38 176.59 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 64.12 110.87 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 mp -125.85 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.24 110.921 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.427 ' CH2' ' HB1' ' A' ' 174' ' ' DTF . 7.4 m95 -111.53 -67.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.952 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.1 m -130.08 -4.23 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.099 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 9.9 p -100.36 138.01 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.33 111.129 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -142.19 158.73 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.45 110.896 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' A' ' 123' ' ' VAL . 61.4 m-85 -153.13 176.38 11.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -84.25 -46.51 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.85 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 t -114.42 157.18 23.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' A' ' 95' ' ' PHE . 13.1 mt -64.92 -27.12 68.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -35.0 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.869 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 3.2 mm-40 -67.8 -27.58 66.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mp -74.01 -55.41 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.926 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 133' ' ' ASP . 10.5 m -56.2 -36.44 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.11 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 132' ' ' VAL . 1.2 t70 -72.66 -56.97 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -47.21 -44.69 22.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -77.14 -24.39 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -25.28 66.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.871 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -108.53 -25.56 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.915 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 48.7 m -113.35 145.04 41.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 74.54 111.171 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -42.01 160.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.844 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -142.77 -36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 63.21 111.119 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.62 149.54 25.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.31 25.11 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.875 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.45 -49.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.5 110.893 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 -178.46 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 74.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.9 87.0 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.5 mt -131.24 151.8 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.14 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.59 169.25 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 16.4 mt -79.54 108.97 13.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -82.41 133.14 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.2 111.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 61.55 110.853 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.446 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.7 tt -71.24 143.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.152 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 2.0 tt0 -75.29 78.83 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -43.8 163.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.888 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.68 135.0 10.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 65.13 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 63.14 112.341 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -113.21 104.28 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.98 80.97 5.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 72.05 110.924 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 160.48 49.56 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 72.44 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.31 111.186 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.504 HBC1 ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.474 ' CZ3' HD11 ' A' ' 85' ' ' ILE . 5.3 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 75.53 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -84.55 144.26 28.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' CG ' HD13 ' A' ' 84' ' ' LEU . 14.1 m-85 -135.64 140.49 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.42 110.891 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.36 -140.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.767 . . . . 73.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.5 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 74.23 110.9 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.38 133.15 24.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 75.22 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.72 69.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 74.15 112.326 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' NH1' ' NE2' ' A' ' 107' ' ' HIS . 26.3 ttm-85 -45.37 -42.86 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.892 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.27 -51.82 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 63.43 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.15 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 65.43 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.51 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 62.24 111.106 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 50.6 mt-10 -57.43 -26.28 60.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -80.61 -44.4 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.61 -31.48 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.31 -45.98 10.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.913 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -56.57 -50.92 70.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -48.02 -29.83 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 75.24 110.874 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' NE2' HG12 ' A' ' 151' ' ' ILE . 50.0 mm-40 -62.09 176.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.14 -33.7 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 64.3 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -171.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.832 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 105.13 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.39 22.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 75.41 112.499 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.66 122.79 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.335 . . . . 64.41 111.12 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 60' ' ' TRP . 10.4 p90 -112.83 151.62 30.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.904 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 62' ' ' PHE . 2.1 tt -155.11 116.53 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.474 HD11 ' CZ3' ' A' ' 60' ' ' TRP . 48.5 mt -90.89 123.31 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.114 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -109.06 155.78 20.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.03 110.833 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -118.19 138.0 52.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.86 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.2 m -58.13 174.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 72.44 110.815 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -103.91 -36.26 7.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.881 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.2 0.01 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -113.64 90.41 18.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 75.34 111.113 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 71.15 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.63 -4.46 34.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 55.24 112.441 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.31 118.4 24.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 72.45 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 128' ' ' LEU . 19.7 m-85 -118.2 141.08 48.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.901 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.34 124.82 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.55 110.912 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.5 tm? -91.74 136.08 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.437 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.8 t -121.59 111.17 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.865 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.67 145.83 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.31 111.155 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' N ' HG12 ' A' ' 99' ' ' VAL . 11.5 tttm -97.79 131.48 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.891 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 16.1 m-85 -129.7 98.8 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.925 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.82 -108.76 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 65.02 112.505 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -112.54 18.35 18.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 74.35 110.923 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.61 131.96 36.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 91.9 t -96.11 107.55 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.122 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.647 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 42.4 mm-40 -95.29 171.46 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.924 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 1.1 m-70 -149.89 165.49 32.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 75.11 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.75 113.25 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.921 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 112.74 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.3 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 112' ' ' ARG . 41.3 t -71.68 124.19 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.35 111.133 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 1.0 OUTLIER -88.49 131.35 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.937 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.573 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -125.97 136.66 53.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.839 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.1 163.46 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.864 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.17 4.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 54.14 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -173.2 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 74.45 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.0 30.5 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 71.41 112.502 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -104.58 136.08 44.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 74.51 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.6 m-85 -105.57 162.3 13.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 3.6 p90 -171.5 168.25 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 70.32 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.2 mt -120.49 -88.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.888 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.573 ' CH2' ' HA1' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -159.25 19.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.918 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.29 -41.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.077 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.539 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 8.7 p -143.18 170.27 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.138 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -117.35 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 72.05 110.917 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER -158.73 159.63 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 75.04 110.874 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.02 -35.84 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.41 110.871 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.6 t -136.46 172.2 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.861 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 95' ' ' PHE . 57.4 mt -72.89 -45.89 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -36.82 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.11 84.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 70.44 110.886 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 125' ' ' PHE . 4.3 mp -74.52 -35.32 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.919 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.1 -51.36 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 134' ' ' TYR . 0.5 OUTLIER -68.24 -53.62 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.25 110.888 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.4 t80 -36.76 -52.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 61.35 110.946 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -73.68 -37.2 65.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -48.46 -25.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.9 p -112.31 -31.79 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 65.41 110.851 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 139' ' ' SER . 52.9 m -103.22 140.28 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.54 111.126 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 138' ' ' THR . 18.1 p -39.19 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.879 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 141' ' ' SER . 6.3 p -135.26 -37.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.152 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' HG13 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -84.48 133.05 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.864 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -87.09 32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -131.49 -53.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.79 -171.26 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 65.14 110.945 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -108.28 97.28 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.92 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.0 mt -134.46 159.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 65.31 111.176 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -114.68 151.29 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 109.0 4.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -86.14 134.05 33.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.87 107.79 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 77' ' ' GLN . 5.1 tt -54.98 151.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.05 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.75 88.24 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.74 158.99 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.937 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.2 p -40.11 126.03 1.67 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 63.1 111.088 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 162.13 43.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.32 112.345 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -144.02 98.12 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.98 139.29 23.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 72.01 110.907 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.14 47.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.263 . . . . 64.15 112.355 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 40.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.115 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.573 ' HA1' ' CH2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 71.11 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -112.95 140.78 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.86 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 28.3 m-85 -131.1 148.94 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.43 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.17 110.16 2.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 55.01 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 69.05 85.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.316 . . . . 72.31 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 86' ' ' ARG . 1.1 pp -148.04 132.37 8.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 72.02 111.097 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.07 66.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 72.52 112.367 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -30.1 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.43 71.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.65 77.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.888 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 84' ' ' LEU . . . -55.41 -55.33 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.093 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -50.35 -34.85 25.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.15 -42.65 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.856 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 36.2 mmt -62.09 -29.98 70.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.45 -46.34 11.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.952 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -43.35 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -25.85 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.888 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.1 mm-40 -61.07 179.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 75.55 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -118.18 -31.25 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.846 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.55 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.852 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -124.62 113.03 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.67 20.75 4.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 52.4 112.499 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.98 126.25 26.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 73.45 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.487 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 41.0 p90 -105.88 152.5 23.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 70' ' ' ALA . 1.8 tt -154.74 117.93 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.936 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -94.71 129.36 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.158 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HB3' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -120.48 160.81 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.9 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -112.19 133.77 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.53 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 72.52 110.877 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -78.67 -35.71 44.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.823 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -95.8 -3.25 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.88 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.16 87.86 46.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 65.32 111.062 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 121.66 8.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.21 112.367 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.97 -14.51 44.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.542 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 132.37 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 61.45 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.453 ' CG ' HD13 ' A' ' 128' ' ' LEU . 49.8 m-85 -115.69 144.37 44.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.839 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 p -142.88 123.08 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.857 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' HIS . 8.3 tp -88.06 147.9 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 73.01 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.875 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.477 HG13 ' CE2' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -98.1 154.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.11 111.114 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' N ' HG11 ' A' ' 99' ' ' VAL . 14.0 ttpt -93.04 135.69 33.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.893 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 99' ' ' VAL . 28.3 m-85 -131.65 93.79 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 72.31 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.25 -109.97 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.464 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.58 25.47 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 74.23 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -150.29 139.07 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.885 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.68 124.05 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 22.0 mm-40 -111.26 172.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.56 160.56 42.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.854 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.449 ' CD2' HBA2 ' A' ' 174' ' ' DTF . 57.6 m-85 -130.46 117.28 19.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.3 OUTLIER -64.81 113.74 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.872 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.43 128.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.507 HD12 ' CAS' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -104.78 147.6 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.887 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -138.21 167.05 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.93 -169.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.7 33.41 5.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.491 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.53 -41.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 75.43 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.54 0.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 61.41 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 135.92 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 74.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -98.94 152.35 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.912 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -171.19 169.3 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.01 110.868 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -92.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -81.87 -52.76 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.943 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.65 -38.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.66 141.85 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.25 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 5.4 pttp -140.93 167.09 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.02 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -157.33 178.18 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -88.41 -43.29 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.911 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.63 164.58 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.82 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 95' ' ' PHE . 16.9 mt -69.24 -56.25 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 71.2 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 129' ' ' ASN . 5.0 t30 -37.72 -44.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.872 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.27 86.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -65.11 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 63.52 110.901 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 52.2 t -64.54 -37.35 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.04 111.13 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.06 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 71.55 110.88 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -52.85 -57.36 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.978 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -56.96 -28.69 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 64.04 110.831 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -72.94 -25.86 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 75.55 110.863 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -96.44 -12.93 23.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.853 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.7 t -120.41 154.19 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 75.43 111.126 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.2 p -42.8 160.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 65.23 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.47 -52.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.12 111.095 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.57 139.09 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.858 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.57 33.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -129.87 -52.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.833 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -124.96 -179.52 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.883 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -105.27 91.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.1 147.08 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.44 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.88 154.34 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.9 108.97 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 71.25 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.08 137.49 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -63.84 108.92 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.467 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.5 tt -57.23 149.7 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 153' ' ' GLN . 2.8 mt-10 -106.12 95.43 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 152' ' ' GLU . 19.2 tp60 -35.43 150.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.458 ' CG2' ' HD2' ' A' ' 155' ' ' PRO . 6.8 p -35.72 138.19 0.43 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 73.5 111.13 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 154' ' ' VAL . 53.8 Cg_endo -69.72 157.69 59.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 73.32 112.347 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.2 OUTLIER -135.93 105.53 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.93 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 156' ' ' GLN . 0.7 OUTLIER -34.41 117.97 0.53 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 75.44 110.907 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.24 9.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 71.11 112.321 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.189 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.507 ' CAS' HD12 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.601 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.822 0.344 . . . . 73.33 110.944 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -127.75 152.84 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.875 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 3.4 m-85 -141.58 133.32 27.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.918 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.71 -115.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 72.13 112.44 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.7 101.18 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.299 . . . . 74.42 110.885 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.95 139.88 33.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 74.52 111.151 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.74 141.33 45.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 75.32 112.331 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.0 ttm180 -35.16 -41.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.0 -57.64 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -43.45 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.22 -56.34 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.55 111.105 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -53.9 -31.89 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.86 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -73.29 -45.78 53.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.853 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.2 mmt -55.64 -32.05 62.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.11 -49.93 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.02 110.931 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -46.94 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -55.17 -19.51 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.32 110.905 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.8 mm-40 -72.21 164.05 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 64.51 110.893 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -101.15 -38.18 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.871 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -62.91 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.54 110.887 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.78 107.54 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 70.23 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.82 21.17 2.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 63.23 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.21 128.01 34.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 62.14 111.087 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 132' ' ' VAL . 2.0 p90 -110.73 149.63 30.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.688 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 6.6 tt -152.2 113.81 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.86 112.39 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.084 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.59 154.31 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.842 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.97 135.69 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.857 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -44.22 165.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.15 110.851 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 -18.73 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.05 110.833 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.32 5.36 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.51 110.855 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.55 94.76 45.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 71.5 111.114 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.8 7.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 74.14 112.364 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.04 -14.62 40.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 70.53 112.514 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -72.35 131.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.11 110.917 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.461 ' CG ' HD13 ' A' ' 128' ' ' LEU . 50.2 m-85 -124.01 132.88 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.883 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 p -138.62 120.82 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.854 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.6 tm? -90.04 134.91 33.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 75.52 110.946 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.456 ' N ' HD13 ' A' ' 97' ' ' LEU . 6.4 t -119.76 112.71 19.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 72.43 110.807 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.56 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.43 139.34 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.13 111.133 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -85.98 134.78 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.51 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 12.9 m-85 -139.17 92.05 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 72.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.19 -130.21 21.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.519 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -91.56 15.14 13.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 71.13 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.35 122.44 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.854 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.8 t -88.67 115.32 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.167 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.465 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 40.3 mm-40 -91.89 173.73 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.884 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -145.69 167.03 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.872 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -139.15 126.38 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.6 OUTLIER -75.2 123.68 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.872 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.38 130.54 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 71.42 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 2.0 mm? -100.1 148.23 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.903 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.423 ' NH2' ' OD1' ' A' ' 94' ' ' ASP . 10.0 mtm105 -136.09 121.78 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.853 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.92 176.1 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.843 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.23 -58.43 4.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 71.42 112.502 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -178.59 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 70.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.46 23.43 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 71.43 112.448 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -97.92 146.45 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 74.14 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.478 ' CD1' HD23 ' A' ' 128' ' ' LEU . 16.0 m-85 -109.09 160.98 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 7.0 p90 -170.9 166.12 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.891 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.31 -84.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.924 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -79.46 -81.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 70.53 110.933 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.409 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 12.6 p -134.58 10.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.105 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 p -115.23 145.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.5 111.146 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -142.92 166.97 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.926 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 33.7 m-85 -158.13 178.32 10.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.888 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.31 -47.58 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.16 161.55 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.902 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 118' ' ' TYR . 42.6 mt -67.54 -35.25 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.04 110.905 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -50.81 -42.73 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.838 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -55.76 -24.41 35.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -41.98 18.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 73.13 110.925 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 83' ' ' PHE . 15.6 t -58.88 -42.18 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.33 111.148 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ARG . 1.9 t0 -74.29 -57.3 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.825 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.1 t80 -42.99 -36.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.918 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.504 ' ND1' ' CG1' ' A' ' 140' ' ' VAL . 17.0 m-70 -83.54 -29.9 27.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.859 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ASP . 4.7 ttt180 -59.05 -28.88 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.866 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.03 -29.13 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.87 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 92.6 m -107.81 136.12 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.23 111.154 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.1 p -52.62 159.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.504 ' CG1' ' ND1' ' A' ' 135' ' ' HIS . 3.4 m -127.49 -10.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.124 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.47 141.2 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.901 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 19.5 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.5 110.878 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -123.64 -42.82 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.01 -178.64 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -108.55 93.9 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.23 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 47.6 mt -133.38 156.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.419 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 27.7 m-85 -115.18 161.45 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 99' ' ' VAL . 6.6 tp -82.68 109.43 16.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 74.14 110.923 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -93.11 130.67 38.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.882 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 111.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.861 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 4.9 tt -57.87 150.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.125 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -99.4 95.4 7.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 170.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 65.11 110.888 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 4.4 p -44.8 128.41 5.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 72.51 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 152.59 69.22 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.249 . . . . 74.44 112.356 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.08 77.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.902 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -165.76 142.63 4.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 73.2 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.24 61.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.734 2.289 . . . . 70.52 112.336 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 72.54 111.143 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.479 HAR1 ' N ' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.806 0.336 . . . . 73.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.6 t80 -102.11 151.16 22.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.655 ' CE1' ' NE2' ' A' ' 153' ' ' GLN . 4.9 m-85 -137.29 131.75 32.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.96 -164.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 74.24 112.49 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -58.81 97.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.784 0.326 . . . . 74.51 110.921 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.23 137.03 29.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 73.41 111.149 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 75.21 112.354 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 10.5 mtp180 -33.13 -44.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.828 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -52.7 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.109 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.3 tptt -53.35 -48.17 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.94 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.063 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.38 -32.39 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.93 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -75.91 -44.19 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.53 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.6 mmt -55.45 -32.81 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.82 -44.35 10.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.938 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -55.6 -40.03 71.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.836 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -23.32 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.906 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -65.33 164.2 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -102.86 -32.22 9.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 74.02 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.8 -171.44 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 64.1 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -131.76 118.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.899 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.92 26.71 5.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 71.43 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.15 129.29 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 63.42 111.094 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -108.67 137.91 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.868 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -148.44 119.16 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 75.3 110.937 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.82 124.66 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.147 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -114.75 151.01 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.912 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 88' ' ' SER . 1.4 tt0 -97.81 146.97 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.873 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 72.8 m -69.57 162.27 27.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.853 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 1.5 mt-10 -87.14 -59.42 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.07 28.43 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.869 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.19 83.1 14.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 41.1 111.122 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.86 26.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 73.31 112.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.89 2.91 74.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.707 -0.759 . . . . 74.33 112.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.04 134.7 44.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 73.02 110.853 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' A' ' 128' ' ' LEU . 24.3 m-85 -123.85 139.86 53.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.844 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 p -137.98 124.78 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 64.13 110.834 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 98' ' ' SER . 37.7 tp -88.33 157.93 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 74.1 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -147.92 105.78 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.876 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -105.63 149.9 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 61.32 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -95.27 133.06 39.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 22.9 m-85 -132.06 99.78 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 64.14 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.22 -119.21 14.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 64.31 112.512 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.32 19.35 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 64.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.35 143.48 37.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.898 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -109.78 114.37 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.112 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.468 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 65.1 mm-40 -101.22 170.93 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.887 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.57 168.68 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -138.41 119.11 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.875 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.5 OUTLIER -68.94 127.08 31.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.92 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.17 140.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 71.44 111.047 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.436 HD23 ' CAS' ' A' ' 174' ' ' DTF . 7.8 mp -121.21 165.92 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.88 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 134.89 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.851 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.9 165.55 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 63.34 110.852 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ALA . . . 79.84 -45.03 2.87 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 72.43 112.494 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 114' ' ' GLY . . . 161.47 -20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 74.31 111.132 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -166.65 -31.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.528 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.03 117.49 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.14 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -90.34 159.17 16.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.901 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -170.85 167.51 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 73.42 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.5 mp -136.3 -94.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.92 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.408 ' CH2' ' HA1' ' A' ' 174' ' ' DTF . 0.5 OUTLIER -151.55 14.95 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.872 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.7 m -132.65 -31.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 72.44 111.169 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.0 p -168.25 171.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 61.43 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.902 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -154.27 177.01 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -46.27 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.3 m -118.1 174.21 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.874 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 95' ' ' PHE . 45.1 mt -74.31 -42.73 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.892 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -45.51 -50.83 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.902 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.98 -27.74 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.831 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 135' ' ' HIS . 0.1 OUTLIER -71.96 -49.43 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.929 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 133' ' ' ASP . 31.0 m -64.06 -31.12 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.114 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.438 ' N ' HG21 ' A' ' 132' ' ' VAL . 0.3 OUTLIER -66.68 -48.52 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.92 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -73.73 -33.33 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.907 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.519 ' CE1' HD23 ' A' ' 131' ' ' LEU . 1.5 m170 -71.39 -36.96 71.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 70.25 110.853 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 136' ' ' ARG . 2.7 ptm85 -75.38 -29.18 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -16.58 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.1 110.843 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -118.8 152.92 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.163 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -48.55 160.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.878 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 25.7 m -143.07 -36.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.12 132.21 34.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.85 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -88.6 22.13 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.46 -51.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 63.11 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -125.12 -174.87 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.04 87.0 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 23.0 mt -125.0 150.94 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 75.44 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.41 159.96 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.885 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 50.6 mt -72.6 108.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -77.04 136.03 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.19 112.92 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.7 tt -75.43 147.54 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.115 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.04 88.49 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 62.15 110.928 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.655 ' NE2' ' CE1' ' A' ' 62' ' ' PHE . 29.9 tp60 -46.21 149.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.932 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.2 p -38.37 125.99 1.09 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 71.21 111.131 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.11 67.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 73.31 112.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -165.53 80.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.94 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -171.89 114.75 0.41 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 72.34 110.91 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.71 68.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 75.22 112.324 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.24 111.143 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.469 HAR1 ' N ' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.708 0.29 . . . . 71.12 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.1 144.45 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 72.23 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 84' ' ' LEU . 6.6 m-85 -128.51 127.94 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.89 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.11 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 108.99 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 74.31 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.94 145.87 52.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 74.52 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.4 Cg_endo -69.8 135.34 30.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 72.22 112.342 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' PRO . 18.0 ttm180 -33.41 -38.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' PRO . . . -56.41 -55.98 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.156 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -41.78 68.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.45 110.864 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.73 -61.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.2 111.104 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -52.65 -32.28 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.878 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.66 -44.82 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mmt -56.94 -36.61 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.59 -46.67 15.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -56.15 -47.15 78.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -21.91 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.943 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.1 mm-40 -67.51 169.49 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -109.8 -33.58 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.857 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.3 OUTLIER -69.03 -175.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.868 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.82 110.35 12.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.95 17.6 3.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 45.2 112.532 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.92 131.17 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 63.45 111.11 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CG1' ' A' ' 132' ' ' VAL . 4.8 p90 -121.87 154.53 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.868 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 62' ' ' PHE . 2.0 tt -157.05 120.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.453 ' CG1' HD21 ' A' ' 97' ' ' LEU . 58.3 mt -94.82 115.86 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -108.53 152.15 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.921 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.06 146.15 47.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.882 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.98 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 61.22 110.836 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -47.53 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.53 36.23 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.866 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.68 87.7 7.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 70.24 111.115 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.74 3.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 74.25 112.331 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.07 -18.4 5.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 71.44 112.507 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.32 110.21 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 74.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.54 136.13 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 p -141.6 127.8 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.4 110.851 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.453 HD21 ' CG1' ' A' ' 85' ' ' ILE . 3.3 tm? -91.37 134.21 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.949 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.45 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.84 111.09 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.882 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.628 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.55 138.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -84.57 134.71 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.25 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.628 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -139.97 92.16 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.872 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.22 -123.22 9.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 54.24 112.472 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.05 10.95 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 65.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.74 126.22 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.847 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' CG1' ' OE2' ' A' ' 71' ' ' GLU . 76.1 t -90.87 122.31 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.159 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.445 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 83.6 mt-30 -91.56 173.78 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.869 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' CE1' ' OE2' ' A' ' 71' ' ' GLU . 1.8 m-70 -142.79 158.7 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -137.31 110.34 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.489 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -63.07 120.67 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.896 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 52.4 t -83.54 127.67 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 75.4 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.511 HD13 ' CAT' ' A' ' 174' ' ' DTF . 4.0 mm? -100.74 142.22 32.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.08 134.19 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.14 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.62 172.07 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.85 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.88 -68.84 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 61.21 112.51 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.13 -56.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.4 111.134 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.42 39.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 72.03 112.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -105.73 109.17 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 72.35 110.905 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -88.77 154.5 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.958 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -168.82 166.24 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.91 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.29 -94.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -74.24 -71.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.899 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.2 m -132.98 -31.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 71.45 111.133 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 134' ' ' TYR . 9.1 p -71.7 142.08 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -136.6 166.53 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.914 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 123' ' ' VAL . 89.2 m-85 -158.33 175.94 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.1 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.33 -45.62 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.929 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.8 p -107.58 156.58 18.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.818 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.9 -44.07 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 73.05 110.928 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -44.65 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -43.05 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.15 110.898 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.77 -55.22 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.898 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.51 ' CG1' ' CZ ' ' A' ' 83' ' ' PHE . 87.8 t -48.54 -42.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.15 111.121 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.04 -59.66 4.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.876 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.476 ' CD2' HG23 ' A' ' 123' ' ' VAL . 10.6 t80 -49.36 -32.91 12.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -28.88 60.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -29.7 61.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -94.61 -14.56 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.9 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 73.0 m -119.26 150.92 39.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 64.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.7 p -45.19 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.8 t -128.44 -57.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.152 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.8 138.67 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 72.52 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -87.07 29.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.845 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.99 -48.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 54.24 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 -167.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.928 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -110.45 89.42 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -131.89 151.05 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.52 111.109 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -112.88 168.42 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 110.49 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.909 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -90.49 134.79 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.27 110.82 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.1 tt -52.82 143.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' GLN . 3.8 tt0 -81.54 91.73 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.898 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 154' ' ' VAL . 1.5 tt0 -36.99 149.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.87 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.1 p -34.61 125.74 0.52 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 72.53 111.113 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.12 64.25 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.256 . . . . 71.44 112.363 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.2 OUTLIER -148.4 86.92 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.914 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 156' ' ' GLN . 32.9 tp60 36.49 78.98 0.32 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 64.34 110.907 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.85 51.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.651 2.234 . . . . 73.15 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.54 111.155 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.511 ' CAT' HD13 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CB ' ' CE2' ' A' ' 83' ' ' PHE . 2.6 p-90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -92.4 142.81 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 73.34 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 84' ' ' LEU . 18.0 m-85 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.55 -103.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.52 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -113.45 103.04 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 74.31 110.864 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.57 134.76 16.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 73.23 111.135 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.65 58.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.44 112.381 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' NH2' ' OAG' ' A' ' 174' ' ' DTF . 8.4 ptp85 -41.16 -37.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.845 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -58.81 -56.46 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 65.3 111.09 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.02 -46.44 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.54 -54.01 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 75.42 111.071 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.58 -34.74 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.853 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.88 -39.34 61.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.896 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.0 mmt -65.98 -33.05 74.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.844 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 mt -81.05 -43.27 19.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 70.32 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' HA ' ' CD ' ' A' ' 100' ' ' LYS . 3.2 t -61.49 -42.94 99.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -24.16 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.839 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.6 mm-40 -65.46 167.07 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.886 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -102.29 -35.3 8.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.863 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.63 -173.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.841 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -131.7 112.58 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.01 25.02 4.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 74.2 112.469 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 135.58 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.51 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.444 ' CE2' ' CB ' ' A' ' 60' ' ' TRP . 19.8 p90 -111.1 149.47 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 62' ' ' PHE . 1.1 tt -156.95 114.66 3.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.945 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.9 mt -90.43 119.78 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.05 111.178 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -110.8 152.2 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -105.46 129.1 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.03 110.913 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -63.29 138.91 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.884 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.16 -37.85 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.869 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 p -85.69 -11.21 54.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.798 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.49 94.82 34.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 74.33 111.127 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.82 31.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 74.12 112.332 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.87 18.58 67.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 71.11 112.522 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.61 122.94 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 75.24 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -109.19 137.39 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.844 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -139.92 128.87 23.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 61.44 110.841 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.6 tm? -92.07 137.77 32.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.46 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -125.59 110.86 14.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.856 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -109.03 144.44 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.113 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' CD ' ' HA ' ' A' ' 75' ' ' SER . 6.1 ttpm? -96.41 129.93 43.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.925 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 26.2 m-85 -126.39 92.36 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.908 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 62.4 112.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.14 15.0 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 71.35 110.896 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.76 124.87 20.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.883 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.99 121.27 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.142 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.36 173.65 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.25 163.81 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.876 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.425 ' CD2' HBA2 ' A' ' 174' ' ' DTF . 88.3 m-85 -140.87 118.29 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.461 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.1 OUTLIER -70.47 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.895 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.72 125.6 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.52 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.944 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 145.89 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.877 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.25 -175.64 3.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.871 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.09 38.44 3.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 62.21 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.2 -44.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 71.43 111.09 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.75 30.3 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -117.44 151.98 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 74.1 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.67 150.18 47.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 2.5 p90 -171.27 -177.59 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.879 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 135' ' ' HIS . 8.3 mp -124.89 -96.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.908 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.536 ' CH2' ' HA1' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -136.43 1.76 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.911 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.82 -72.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 125' ' ' PHE . 12.5 p -81.12 152.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -157.85 147.76 20.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.922 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 48.2 m-85 -153.46 179.38 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.932 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.501 ' CG ' ' N ' ' A' ' 127' ' ' SER . 2.7 p30 -85.29 -52.38 5.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 126' ' ' ASN . 83.0 p -91.64 171.21 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.857 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.25 -43.63 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -40.76 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 1.6 mt-10 -62.87 -33.16 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.838 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.61 -62.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 133' ' ' ASP . 27.4 m -49.97 -28.57 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 132' ' ' VAL . 12.6 t0 -67.56 -57.71 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.852 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.4 110.876 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.502 ' CE1' HD23 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -73.84 -38.7 64.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.838 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.408 ' CB ' ' HB2' ' A' ' 148' ' ' LEU . 36.3 ptt85 -75.98 -18.43 59.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.54 110.88 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.46 -15.13 19.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 54.25 110.876 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.44 152.27 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 73.15 111.101 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.41 ' C ' HG23 ' A' ' 140' ' ' VAL . 92.5 p -40.36 159.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.857 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 139' ' ' SER . 51.5 t -139.38 -42.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.127 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.86 134.2 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.869 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -85.52 22.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -53.33 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.907 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.43 -169.67 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.54 96.54 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 147' ' ' PHE . 33.0 mt -134.78 150.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.149 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 146' ' ' ILE . 23.5 m-85 -113.29 165.98 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.52 110.843 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 42.3 mt -81.75 109.71 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.1 110.935 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -76.85 134.1 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.4 104.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.443 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.4 tt -61.69 145.34 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.119 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -103.5 107.13 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.97 172.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.943 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 p -37.27 131.29 0.78 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 75.21 111.12 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 148.35 65.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 75.33 112.387 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -163.2 79.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.45 110.943 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.77 118.74 0.44 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 64.41 110.932 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 159' ' ' THR . 54.2 Cg_endo -69.73 170.85 15.58 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 72.14 112.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 158' ' ' PRO . 14.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.03 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.536 ' HA1' ' CH2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.477 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 1.2 p-90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 75.43 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.8 t80 -91.2 140.68 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.857 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 11.8 m-85 -131.09 136.66 48.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.893 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.52 -148.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 71.5 112.492 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.96 92.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 74.22 110.901 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.88 130.25 18.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 74.33 111.166 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.56 67.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 74.35 112.345 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -36.95 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.79 49.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.05 111.101 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -47.7 -45.22 28.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.11 110.912 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.094 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 68.0 mt-10 -52.65 -34.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -73.14 -34.32 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.1 mmt -70.01 -30.57 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.88 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.29 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.926 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -60.77 -49.89 75.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.8 ptpt -49.66 -31.14 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.92 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 75.3 mm-40 -59.64 172.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.88 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -117.78 -28.45 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.888 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -71.27 -179.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.877 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.34 112.34 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.37 21.3 4.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.462 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.17 131.67 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 74.21 111.084 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -119.26 150.65 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.877 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -151.1 116.85 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.4 mt -91.45 130.73 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.118 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -121.44 151.75 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 88' ' ' SER . 31.2 tt0 -109.82 151.73 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 70.44 110.879 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.42 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 6.5 m -66.79 176.18 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.842 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.14 -37.62 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.96 -1.76 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.51 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.62 85.87 3.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.11 111.122 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.703 2.269 . . . . 75.21 112.34 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.38 -14.62 27.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 60.1 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.91 132.71 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 71.2 110.883 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.493 ' CD1' HD12 ' A' ' 128' ' ' LEU . 77.8 m-85 -128.41 143.57 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 120.37 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 83' ' ' PHE . 2.9 tm? -89.67 133.33 34.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 111.48 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.853 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.32 152.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.35 111.14 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 99' ' ' VAL . 5.8 tttm -104.24 131.45 51.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.927 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 31.1 m-85 -129.2 91.26 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.41 -113.72 5.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 53.44 112.515 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -106.88 25.11 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 73.34 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.58 121.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 62.55 110.811 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 74.5 t -90.24 109.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.124 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -95.35 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.542 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -150.17 170.17 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.823 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 107' ' ' HIS . 14.6 m-85 -144.42 123.35 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.891 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.452 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -73.94 108.51 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.925 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.36 130.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 74.44 111.113 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.0 mm? -98.94 143.3 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.953 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -139.85 134.95 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.881 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.74 173.99 12.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.18 -68.61 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 72.43 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -161.29 -53.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 75.53 111.057 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.77 32.66 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 53.41 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 127.8 45.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 75.3 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -95.9 150.47 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 1.7 p90 -164.49 151.25 11.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.858 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.39 -81.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.431 ' O ' ' CB ' ' A' ' 122' ' ' VAL . 68.3 m95 -96.03 66.86 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.431 ' CB ' ' O ' ' A' ' 121' ' ' TRP . 3.1 t 79.66 -43.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.52 111.164 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.454 HG23 ' CD2' ' A' ' 134' ' ' TYR . 1.4 p -63.45 136.38 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 65.12 111.134 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.5 ptmt -139.63 155.64 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -150.9 176.4 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.05 110.881 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.57 -39.63 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 60.11 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.1 172.65 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 95' ' ' PHE . 8.7 mt -79.82 -54.94 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.03 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.33 -36.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.893 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.45 -45.06 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -35.72 81.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.3 110.933 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 83' ' ' PHE . 53.4 t -64.92 -49.36 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.51 111.12 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.65 -56.34 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 3.7 t80 -48.48 -48.58 37.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.942 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -66.9 -24.95 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -24.9 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -96.03 -23.96 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.865 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.402 HG23 ' CD1' ' A' ' 134' ' ' TYR . 11.1 t -108.34 154.22 22.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 60.01 111.163 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.6 p -42.0 159.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.853 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 17.1 m -125.74 -46.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 61.33 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 144.01 25.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.848 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.66 29.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.66 -48.3 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.849 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.76 -171.95 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.928 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.67 99.79 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.951 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 90.7 mt -134.33 158.94 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 71.53 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.479 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 28.3 m-85 -117.09 156.61 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.9 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.519 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -78.28 111.59 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.67 140.37 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.858 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.26 115.98 16.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.864 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 6.4 tt -64.77 151.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 74.3 111.087 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.81 81.19 8.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.849 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -51.92 141.48 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.905 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.2 p -33.54 126.58 0.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 73.42 111.147 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 166.91 26.02 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 72.31 112.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -162.97 81.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.83 130.58 2.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 73.53 110.902 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.96 8.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.238 . . . . 73.21 112.365 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.156 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.459 ' CAT' HD12 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.79 0.329 . . . . 75.33 110.937 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.32 139.82 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -129.06 132.17 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.857 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -92.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 74.03 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' HB3' ' A' ' 87' ' ' GLU . 2.2 mmtp -123.79 110.23 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 71.53 110.885 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 pp -137.32 135.43 19.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 74.24 111.117 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.0 Cg_endo -69.75 144.71 54.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 72.44 112.366 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.0 mmm-85 -33.55 -46.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.83 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -48.13 -52.76 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -55.16 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.081 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.51 -32.67 28.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 55.51 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.94 -42.62 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 71.41 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.49 -37.23 75.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.03 -40.42 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.928 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -60.85 -50.98 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 5.7 ptpt -48.68 -32.77 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 75.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' NE2' HG12 ' A' ' 151' ' ' ILE . 57.1 mm-40 -55.18 167.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.931 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 74.15 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -75.6 -166.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.852 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -130.57 114.98 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 62.44 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.55 25.71 3.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 71.03 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.08 114.44 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 74.51 111.107 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -104.4 138.36 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.92 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -147.84 115.23 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.898 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.6 mt -90.62 118.6 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.117 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' CZ ' ' OAF' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -112.09 162.52 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.864 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' HB3' ' CE ' ' A' ' 64' ' ' LYS . 15.1 tt0 -105.14 142.84 34.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.43 110.892 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.07 150.0 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.864 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.92 -39.43 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.849 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -87.65 -7.61 57.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.91 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.13 81.59 50.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 63.41 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.82 24.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 75.5 112.327 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.72 57.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.51 112.489 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 171.73 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.342 . . . . 73.42 110.833 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -143.99 139.19 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p -137.83 123.14 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.7 tm? -88.13 132.74 34.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.93 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -120.05 110.38 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 54.24 110.842 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -111.71 144.81 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 70.13 111.122 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 99' ' ' VAL . 8.0 tttm -98.22 136.59 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 74.52 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' OG ' ' A' ' 141' ' ' SER . 15.5 m-85 -135.29 93.93 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.41 -100.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 74.21 112.507 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.89 26.69 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.21 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -143.53 114.37 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.5 110.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.104 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 6.6 mt-30 -102.23 173.74 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.957 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 165.81 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.834 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.419 ' C ' HAR1 ' A' ' 174' ' ' DTF . 6.7 m-85 -130.81 135.01 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.914 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.472 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -80.26 118.14 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.931 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.5 129.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.42 111.106 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.23 152.76 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.891 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.491 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 12.4 mtp-105 -141.38 144.13 34.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -179.15 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.9 26.24 6.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 64.34 112.486 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.04 -40.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 71.41 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.08 37.76 0.24 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 61.13 112.5 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER -115.08 125.12 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.738 0.304 . . . . 73.15 110.924 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 79.7 m-85 -90.44 148.53 22.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.901 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.56 142.16 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.4 110.857 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 121' ' ' TRP . 6.5 tp -109.28 -70.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.543 ' CD1' ' CD2' ' A' ' 120' ' ' LEU . 0.4 OUTLIER -179.44 -29.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.925 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 m -108.4 -11.65 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 72.44 111.119 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.62 150.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.143 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 150.02 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.925 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -152.78 175.3 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.8 -33.93 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 m -125.47 171.34 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 12.1 mt -73.72 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' CG2' ' A' ' 132' ' ' VAL . 7.0 p30 -37.76 -34.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.55 110.879 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.57 -45.27 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -51.3 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.32 110.919 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 129' ' ' ASN . 11.0 m -53.78 -41.25 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.132 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.5 OUTLIER -61.78 -65.68 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.86 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -43.88 -49.25 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.962 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 1.6 m170 -66.57 -26.61 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.897 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -72.49 -23.52 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.889 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.7 p -102.91 -16.69 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 139' ' ' SER . 86.2 m -125.44 140.16 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.24 111.171 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 138' ' ' THR . 78.1 p -41.74 161.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.35 110.874 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 47.6 t -141.95 -36.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.431 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -84.53 134.5 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.894 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.4 mtm105 -89.76 31.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -124.89 -56.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -123.77 -165.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.932 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -119.59 83.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 75.43 110.976 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.88 157.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -113.55 158.36 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 63.3 mt -73.08 108.95 6.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.939 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -83.31 139.45 33.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.33 105.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.824 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.443 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.4 tt -58.8 146.31 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.107 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -86.94 78.12 9.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.857 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.95 155.76 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 155' ' ' PRO . 5.4 p -41.6 136.32 1.95 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.73 . . . . 73.43 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.401 ' N ' HG23 ' A' ' 154' ' ' VAL . 54.2 Cg_endo -69.72 154.93 67.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.73 2.286 . . . . 73.54 112.362 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -142.38 84.22 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.82 113.55 12.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 72.32 110.938 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 157.23 61.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 70.22 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.115 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.478 ' HB1' ' CE2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 74.42 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -89.98 144.11 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 60.24 110.864 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 3.8 m-85 -133.2 135.13 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 74.34 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.78 -98.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 74.14 112.501 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HG2' ' CA ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -123.43 108.29 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 73.45 110.87 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.86 140.43 24.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 74.43 111.16 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.88 55.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 63.42 112.335 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -38.62 -36.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.94 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.11 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -47.39 -42.41 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 63.51 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.11 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.55 111.094 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.11 -34.46 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -71.88 -47.48 52.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 65.2 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.0 mmt -53.24 -32.22 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.02 -45.45 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.923 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -53.37 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.15 110.893 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.64 -21.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.3 mm-40 -68.96 -177.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 72.21 110.9 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.09 -35.68 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -64.48 -178.48 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.886 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.16 114.88 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.903 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.59 19.06 5.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 64.5 112.512 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.78 115.55 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.4 111.077 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 149' ' ' ARG . 42.9 p90 -104.43 149.56 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.884 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.14 123.8 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.902 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.98 136.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.32 111.144 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 155.66 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 88' ' ' SER . 9.3 tt0 -124.08 151.62 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.898 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 4.5 m -71.15 175.46 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.861 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CA ' ' HG2' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -104.01 -45.27 4.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.47 -8.2 23.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.876 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.43 92.44 16.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 73.44 111.103 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.25 27.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 75.02 112.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.43 -16.87 60.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -70.15 125.28 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 72.4 110.87 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' CG ' HD13 ' A' ' 128' ' ' LEU . 28.3 m-85 -138.85 141.87 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 m -147.06 131.04 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.03 110.89 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 98' ' ' SER . 15.0 tp -88.06 154.87 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.946 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.45 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 76.5 p -141.69 107.49 5.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 62.2 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.629 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -107.17 145.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 73.55 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -93.72 122.66 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.629 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 29.7 m-85 -123.68 96.09 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.55 110.897 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.13 -129.05 37.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 64.3 112.496 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.47 23.92 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 75.11 110.864 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.99 144.39 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.28 118.26 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.24 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -103.44 173.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -153.07 170.3 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.3 110.883 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.433 ' CD1' HBA2 ' A' ' 174' ' ' DTF . 23.9 m-85 -141.13 118.59 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.509 ' HG2' ' CAR' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -70.34 111.25 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 75.03 110.905 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.25 140.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.138 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.466 HD13 ' CAS' ' A' ' 174' ' ' DTF . 3.8 mm? -99.15 152.52 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.927 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -128.17 145.51 51.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.841 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -95.85 173.77 7.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.07 28.9 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 72.04 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.96 -38.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.32 111.112 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.69 33.86 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 61.53 112.511 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 150.23 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 74.22 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -114.67 140.3 48.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.93 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -152.43 173.06 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.841 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.29 -86.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 63.51 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -86.95 -75.29 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 8.5 p -134.31 5.34 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.01 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.41 140.42 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.145 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 160.49 37.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.53 110.919 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 73.1 m-85 -156.38 -176.82 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 73.34 110.874 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -50.25 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.55 178.91 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 51.24 110.883 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' A' ' 95' ' ' PHE . 69.6 mt -81.36 -32.84 32.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.508 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.0 OUTLIER -56.79 -41.0 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.2 110.846 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.415 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 2.5 mm-40 -62.0 -33.04 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -63.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 25.6 m -47.05 -31.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 61.45 111.133 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -59.49 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 4.5 t80 -46.97 -38.98 11.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.947 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.405 ' CB ' HD12 ' A' ' 148' ' ' LEU . 1.2 m-70 -80.55 -24.0 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.829 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.21 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -96.33 -28.55 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.836 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 139' ' ' SER . 87.2 m -118.74 143.21 47.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.158 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.446 ' N ' HG21 ' A' ' 138' ' ' THR . 88.1 p -40.82 160.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 53.24 110.876 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.427 HG11 ' CD2' ' A' ' 148' ' ' LEU . 5.8 p -139.42 -35.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 75.44 111.136 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.62 135.5 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.859 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.48 33.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.4 110.852 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.29 -54.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.91 -178.31 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 61.5 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 145' ' ' GLN . 9.6 pt20 -101.54 84.44 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.943 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.5 mt -130.45 154.69 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.45 111.153 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -114.05 -177.18 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.91 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.427 ' CD2' HG11 ' A' ' 140' ' ' VAL . 8.9 mt -90.01 108.96 20.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.939 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.7 mpt_? -81.03 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.16 106.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.893 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.428 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.9 tt -69.62 150.44 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.138 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -96.07 105.43 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 75.45 110.892 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -68.13 152.63 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.875 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.2 p -33.8 126.78 0.45 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 75.51 111.096 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 154.1 68.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 75.54 112.394 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.89 83.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 71.32 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.96 121.74 32.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.601 0.715 . . . . 74.01 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.29 66.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 72.42 112.376 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 74.43 111.141 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.509 ' CAR' ' HG2' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.463 ' CG ' ' CE1' ' A' ' 83' ' ' PHE . 1.9 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 75.05 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -110.32 145.43 37.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 64.52 110.885 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CE1' HD13 ' A' ' 84' ' ' LEU . 13.9 m-85 -129.17 136.97 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.897 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.25 123.68 7.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 52.45 112.432 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 41.95 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.301 . . . . 75.45 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -150.37 134.87 9.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 65.12 111.136 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.72 58.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 62.14 112.349 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -44.73 -31.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.875 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.64 -52.6 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 61.2 111.113 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -54.53 -48.99 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.66 -57.14 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.12 111.107 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.14 -38.14 50.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.953 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.85 -41.57 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 36.7 mmt -60.77 -35.1 75.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.844 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.22 -55.47 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.885 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -52.35 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 71.42 110.855 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 73' ' ' MET . 0.6 OUTLIER -46.25 -32.23 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.906 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' NE2' HG12 ' A' ' 151' ' ' ILE . 60.3 mm-40 -59.0 170.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 64.52 110.882 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -107.62 -31.61 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.05 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.85 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -129.47 122.77 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 61.31 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.98 21.74 7.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.494 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.75 127.34 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 111.132 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . 28.0 p90 -106.9 148.39 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.878 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 62' ' ' PHE . 1.5 tt -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.34 110.929 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 95' ' ' PHE . 43.4 mt -92.43 123.6 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.143 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 147.32 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -94.78 132.99 38.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.06 142.16 54.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 72.21 110.892 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.76 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 70.42 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.91 9.63 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 73.34 110.872 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.4 82.74 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 63.44 111.121 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 115.76 4.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 73.21 112.359 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.91 -14.49 12.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.489 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 125.62 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 72.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 128' ' ' LEU . 2.3 m-85 -105.28 147.37 28.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.16 119.84 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 72.43 110.857 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.3 tm? -88.98 137.11 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.463 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -124.73 109.81 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.84 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -106.44 137.3 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 73.03 111.195 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -86.67 127.94 34.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.479 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 10.2 m-85 -131.41 105.34 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 52.98 -116.31 5.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 65.45 112.496 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -103.2 19.7 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 71.4 110.915 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.12 126.34 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.851 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.98 112.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 87.5 mt-30 -89.18 173.62 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.33 164.69 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.902 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.27 126.16 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -77.07 116.82 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.03 110.878 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 111' ' ' LEU . 87.8 t -90.73 137.89 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.53 111.1 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.8 mp -118.21 145.93 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.893 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.559 ' HG2' ' CD2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -137.18 149.45 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.908 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -153.25 170.45 20.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.24 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.38 -70.67 2.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 55.43 112.47 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.6 -60.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 72.4 111.119 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.8 38.24 1.29 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.472 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -103.98 116.41 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 65.55 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 7.0 m-85 -97.36 158.1 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.876 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -166.39 155.26 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.89 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -148.4 -76.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 71.31 110.923 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 174' ' ' DTF . 97.0 m95 -96.92 98.43 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.928 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.506 ' C ' ' O ' ' A' ' 121' ' ' TRP . 3.4 m 28.9 41.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 73.45 111.161 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.554 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 9.7 p -154.07 152.19 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.118 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -131.79 170.82 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.913 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -156.56 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.904 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.81 -34.09 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 p -132.17 169.31 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.45 110.89 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 95' ' ' PHE . 13.3 mt -79.37 -44.71 20.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.937 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -36.57 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.75 -25.63 65.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.906 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -78.48 -56.52 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.933 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.6 m -54.85 -35.91 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 72.3 111.139 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -66.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -48.97 -31.62 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.2 110.911 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -77.82 -27.89 50.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.826 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -73.71 -24.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.5 110.912 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 89.5 p -94.64 -26.69 16.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 74.55 110.84 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -111.21 153.55 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -45.54 159.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.882 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.4 -35.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 64.21 111.083 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 2.3 p -85.91 153.88 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.85 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.92 9.36 43.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.3 -38.99 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -134.21 -174.26 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.35 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -107.35 58.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 147' ' ' PHE . 56.4 mt -93.16 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.23 111.104 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.467 ' N ' HG23 ' A' ' 146' ' ' ILE . 22.6 m-85 -121.63 170.25 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.869 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.418 ' CD2' HG23 ' A' ' 99' ' ' VAL . 41.3 mt -81.96 108.85 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 75.32 110.947 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -78.7 137.63 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.02 115.18 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.838 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.432 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.57 130.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.15 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.23 94.24 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.903 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -51.87 172.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.5 110.878 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 153' ' ' GLN . 1.7 p -36.45 122.03 0.76 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 75.1 111.151 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 155.79 64.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 72.02 112.353 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -142.69 79.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.927 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 124.55 67.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 74.43 110.894 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.8 36.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 74.41 112.386 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 159' ' ' THR . 14.9 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 74.53 111.157 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' N ' ' OE1' ' A' ' 153' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.838 0.351 . . . . 75.31 110.919 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.4 t80 -106.53 148.57 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.902 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 7.2 m-85 -133.26 140.46 47.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.869 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.03 127.38 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.506 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 44.72 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 74.43 110.927 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.46 ' CD1' ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -139.96 124.59 11.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.12 111.18 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.2 Cg_endo -69.81 143.69 51.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 75.4 112.314 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.4 mmm-85 -33.12 -46.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -53.11 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.126 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.7 tptt -50.99 -53.07 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -57.29 -52.13 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 44.03 111.107 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -54.87 -32.26 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -74.61 -47.32 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.869 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.498 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 29.7 mmt -55.44 -36.13 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 65.2 110.933 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.5 -51.5 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -52.59 -38.64 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 75.42 110.848 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.2 ptpt -62.58 -28.9 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 70.42 110.913 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 73' ' ' MET . 37.7 mm-40 -60.73 168.44 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.11 110.968 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.4 -32.42 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.844 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -65.96 -172.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.876 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -128.02 111.55 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 63.12 110.86 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.97 23.31 3.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 64.43 112.463 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.05 126.55 28.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 74.24 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 34.5 p90 -112.5 148.22 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.855 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -154.5 120.29 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 74.03 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 97' ' ' LEU . 66.5 mt -98.36 128.29 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.108 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HB3' ' CG1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.86 163.48 16.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.89 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 64' ' ' LYS . 23.5 tt0 -107.78 132.29 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.9 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.38 129.95 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.841 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 64' ' ' LYS . 6.8 pt-20 -70.18 -39.44 75.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.907 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 p -88.62 -10.33 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.1 93.27 30.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 64.1 111.069 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 125.38 12.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 73.14 112.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.22 30.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 73.53 112.495 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.83 122.44 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 73.01 110.87 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 128' ' ' LEU . 34.3 m-85 -102.47 141.37 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.0 p -142.35 120.89 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.1 110.889 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' A' ' 85' ' ' ILE . 15.2 tp -87.9 150.46 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.928 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.1 t -139.97 105.99 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.836 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.517 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -98.94 149.58 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.42 111.139 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' N ' HG11 ' A' ' 99' ' ' VAL . 44.5 tttt -93.69 133.08 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.883 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.517 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 14.8 m-85 -134.08 94.35 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.18 -105.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 60.02 112.47 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 26.44 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 71.15 110.92 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -145.03 121.25 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.85 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.18 106.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.161 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.445 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 7.7 mm-40 -93.85 173.74 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.94 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.53 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.02 165.46 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.894 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -131.89 129.45 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.836 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.474 ' N ' HAR1 ' A' ' 174' ' ' DTF . 1.3 mmmt -76.51 112.84 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.5 130.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.05 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.51 HD22 ' CAT' ' A' ' 174' ' ' DTF . 6.5 mp -113.84 146.43 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.899 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -146.1 159.01 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.858 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -97.61 -176.2 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.11 34.73 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 71.32 112.459 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -130.25 -45.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 64.33 111.083 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.14 30.6 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 64.41 112.473 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.75 135.0 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 74.01 110.871 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 52.0 m-85 -101.22 159.53 15.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.496 ' CZ ' ' HA ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -171.25 151.75 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.902 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 mp -150.25 -79.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.939 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 174' ' ' DTF . 69.9 m95 -88.99 90.13 8.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.919 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' TRP . 21.9 m 34.03 33.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 73.52 111.126 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 121' ' ' TRP . 8.1 p -137.26 147.9 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 75.43 111.098 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.22 162.57 25.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.864 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 130' ' ' GLU . 3.1 m-85 -156.23 179.27 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.11 110.905 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -94.49 -34.05 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.929 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.28 -176.37 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.861 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 95' ' ' PHE . 89.8 mt -74.7 -44.68 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -47.65 -48.63 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.899 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 125' ' ' PHE . 1.3 mm-40 -61.25 -23.27 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.858 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -58.24 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.907 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 133' ' ' ASP . 33.9 m -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 75.25 111.118 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 132' ' ' VAL . 7.6 t70 -74.0 -59.64 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.899 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 1.1 t80 -42.29 -40.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.927 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.56 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -73.84 -38.28 64.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.87 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -56.5 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 73.25 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.95 -34.25 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.864 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 139' ' ' SER . 6.4 m -129.97 136.24 49.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 72.13 111.098 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 145' ' ' GLN . 60.6 p -67.79 158.96 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 53.41 110.86 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 135' ' ' HIS . 6.2 m -131.93 -6.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.55 111.153 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.3 151.2 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 65.33 110.891 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -92.42 -3.21 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -90.82 -53.57 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 177.17 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.942 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 139' ' ' SER . 19.0 pt20 -105.91 52.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.903 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 4.5 mt -78.33 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.131 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.445 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 23.8 m-85 -118.29 152.27 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.928 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 135' ' ' HIS . 19.2 mt -69.06 110.41 4.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -86.89 131.47 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 112.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.467 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.1 tt -68.05 147.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.21 87.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.907 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 154' ' ' VAL . 7.4 tp60 -47.71 160.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.923 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 155' ' ' PRO . 4.4 p -33.54 138.84 0.27 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.589 0.709 . . . . 64.13 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 154' ' ' VAL . 53.7 Cg_endo -69.72 146.77 61.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.235 . . . . 75.03 112.336 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 157' ' ' GLN . 42.4 tt0 -157.11 105.96 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 156' ' ' GLN . 0.7 OUTLIER -32.51 95.95 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 75.44 110.91 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 156' ' ' GLN . 53.5 Cg_endo -69.84 174.21 9.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.64 2.227 . . . . 73.14 112.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.165 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.737 0.304 . . . . 74.34 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.2 t80 -127.62 152.16 48.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.879 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 12.6 m-85 -134.97 134.19 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.893 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.77 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.506 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -101.82 96.03 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.313 . . . . 75.44 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 1.5 pp -136.41 138.93 28.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 73.23 111.123 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.3 64.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 74.15 112.359 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -45.04 -30.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.839 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -64.99 -52.79 54.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -46.17 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 65' ' ' ILE . . . -53.03 -55.39 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.3 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -52.12 -34.3 43.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.35 110.868 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.18 -39.34 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.9 mmt -60.91 -35.52 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.82 -48.66 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.884 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.2 t -51.62 -39.96 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.866 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -63.39 -23.64 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' NE2' HG12 ' A' ' 151' ' ' ILE . 51.5 mm-40 -64.11 177.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -116.06 -37.14 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.887 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.589 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.27 -170.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.02 110.878 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -132.3 114.17 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.862 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.47 22.75 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 54.13 112.452 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.35 123.75 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 73.01 111.082 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -104.26 143.27 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.894 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.63 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 1.9 tt -155.85 113.86 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.909 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.3 mt -94.95 121.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -107.75 149.05 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.915 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -104.4 140.8 37.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -54.23 152.43 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.2 110.818 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.1 -58.02 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 72.55 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -105.64 21.77 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 54.15 110.862 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HB1' ' CB ' ' A' ' 88' ' ' SER . . . -131.89 79.69 67.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 64.13 111.066 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 73.44 112.37 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.23 -15.68 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.463 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -90.08 130.33 36.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 71.14 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 128' ' ' LEU . 69.1 m-85 -117.31 136.23 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.866 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -135.8 121.22 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 71.13 110.864 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.19 149.74 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 73.23 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -137.24 107.4 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.83 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.12 130.94 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 72.23 111.114 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -80.08 136.14 36.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 70.35 110.867 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 11.9 m-85 -132.8 100.44 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.899 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.17 -107.52 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 53.11 112.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.93 16.66 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.55 110.907 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -138.55 126.7 22.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.836 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.31 131.85 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.103 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 63.2 mm-40 -115.64 173.28 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.932 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 159.64 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.03 110.846 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CD1' HBA2 ' A' ' 174' ' ' DTF . 98.5 m-85 -129.75 131.35 46.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.896 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.457 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -79.01 112.4 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.918 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.4 t -86.42 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 64.45 111.181 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 111' ' ' LEU . 7.9 mp -110.31 147.99 32.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.852 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 130.89 46.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.871 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.33 172.89 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.8 -65.3 2.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 65.42 112.506 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 73.1 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.31 23.81 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.477 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -90.86 129.38 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 75.25 110.868 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -101.45 135.58 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -144.01 170.13 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.885 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.48 -91.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.03 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 174' ' ' DTF . 10.0 m95 -83.42 -70.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.83 2.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.45 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -105.84 143.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 74.33 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 158.59 43.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.951 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.497 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 52.5 m-85 -153.06 -177.24 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -95.68 -44.32 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 76.6 p -114.42 164.52 13.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.864 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' A' ' 95' ' ' PHE . 40.6 mt -71.96 -31.52 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.919 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.505 ' ND2' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -53.38 -38.74 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.835 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.505 ' N ' ' ND2' ' A' ' 129' ' ' ASN . 25.4 mm-40 -59.59 -23.74 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.93 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.27 -54.36 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.919 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.478 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 23.1 t -47.85 -40.81 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 64.54 111.17 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.28 -53.83 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 73.02 110.831 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -39.92 -40.51 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.953 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.441 ' CB ' HD11 ' A' ' 148' ' ' LEU . 8.9 m80 -82.86 -36.63 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 72.04 110.86 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -53.26 -21.58 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.4 -23.02 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.889 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 139' ' ' SER . 61.9 m -108.4 140.21 42.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.23 111.127 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.438 ' N ' HG21 ' A' ' 138' ' ' THR . 57.8 p -39.5 159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.884 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.7 t -132.59 -39.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 137.43 32.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.881 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 0.1 OUTLIER -85.29 -6.94 59.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.914 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.03 -44.06 7.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.23 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -131.66 179.01 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.13 99.82 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.498 HD11 ' CE1' ' A' ' 101' ' ' PHE . 57.4 mt -127.45 153.28 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.12 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -114.62 145.35 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -66.16 109.16 2.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -88.59 140.0 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.875 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.54 111.52 6.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.895 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -58.56 144.04 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.147 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 79' ' ' HIS . 1.4 mp0 -80.15 79.75 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.838 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 156.99 38.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.923 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.51 127.0 2.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 74.42 111.138 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.96 68.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.219 . . . . 62.32 112.339 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.69 84.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -149.0 138.85 12.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 72.41 110.907 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 163.5 38.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 74.54 112.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 71.01 111.124 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.562 HBA2 ' CD1' ' A' ' 108' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.455 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 64.12 110.944 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.2 t80 -127.91 152.97 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 84' ' ' LEU . 11.9 m-85 -139.37 143.4 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.846 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.05 116.38 5.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 44.33 112.485 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.84 96.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 75.05 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CD1' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -147.36 130.87 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 74.3 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 145.1 56.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 62.3 112.372 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -33.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.911 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.16 67.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.89 67.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -52.1 -50.64 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.105 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.6 -35.62 61.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.09 -43.47 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.23 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.6 mmt -59.69 -32.6 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.59 -51.41 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 65.32 110.925 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -50.53 -41.71 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.822 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 2.6 ptpt -59.42 -31.11 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.867 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 50.2 mm-40 -56.78 171.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.91 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -106.9 -36.65 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.31 179.39 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 112.03 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.86 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.7 24.65 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 75.02 112.44 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 132.65 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 72.44 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.528 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 4.7 p90 -103.95 146.65 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.882 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 62' ' ' PHE . 3.0 tt -153.67 115.66 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.1 mt -99.54 124.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.54 111.142 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.08 148.08 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.867 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -105.92 154.85 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.909 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 158.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.05 110.858 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 -63.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -109.97 39.83 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.861 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.34 84.54 14.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 71.45 111.105 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.65 2.14 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 74.12 112.33 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.4 -24.4 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 74.11 112.511 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -73.96 119.58 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 72.22 110.87 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 128' ' ' LEU . 60.4 m-85 -119.59 137.04 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.917 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t -135.79 120.1 17.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.852 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 98' ' ' SER . 5.0 tp -88.01 149.27 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.449 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 t -139.02 105.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.527 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -106.45 139.57 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -87.08 140.9 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.527 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 22.3 m-85 -136.28 101.01 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.87 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 54.7 -98.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 71.33 112.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -121.11 28.47 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 71.22 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.09 121.82 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.865 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.29 113.56 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.4 111.179 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.46 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 29.8 mm-40 -103.15 173.62 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.875 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.63 166.28 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.867 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.19 119.18 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.875 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.4 OUTLIER -69.98 104.38 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.88 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 t -64.88 119.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.31 111.134 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -84.25 116.98 23.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.921 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.25 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.863 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.31 -179.91 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.842 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.77 35.45 2.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 55.45 112.478 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.58 -45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 70.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.79 33.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 61.11 112.453 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -116.44 154.13 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 73.21 110.888 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.41 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 62.3 m-85 -127.82 153.32 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.912 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 1.3 p90 -169.08 170.43 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 73.54 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.495 ' CB ' ' CD1' ' A' ' 121' ' ' TRP . 3.4 mt -122.7 -58.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 75.31 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -164.62 -33.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.93 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.1 32.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.25 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.8 138.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 75.45 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -138.74 149.38 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 73.51 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.5 m-85 -151.77 -179.88 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.852 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -38.1 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 65.54 110.927 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.29 159.96 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.889 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 95' ' ' PHE . 7.7 mt -65.54 -36.04 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.926 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -49.04 -43.47 40.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 1.8 mp0 -54.3 -28.19 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.855 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.3 mp -82.56 -44.62 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 78.6 t -59.15 -39.13 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 136' ' ' ARG . 34.1 t70 -76.49 -63.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -41.27 -40.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.481 ' CB ' ' CD1' ' A' ' 148' ' ' LEU . 22.0 m80 -78.31 -31.46 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.1 ttp85 -57.13 -29.83 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.893 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.8 p -103.19 -33.59 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 65.22 110.871 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' HIS . 46.2 m -104.07 137.6 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.106 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.8 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 73.22 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 148' ' ' LEU . 7.2 p -131.17 -6.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.141 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.2 p -110.27 146.0 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.903 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.0 28.18 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.809 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.99 -49.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -126.17 -178.58 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 71.5 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.51 94.01 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 147' ' ' PHE . 14.2 mt -134.7 146.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 72.21 111.192 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.481 ' N ' HG22 ' A' ' 146' ' ' ILE . 20.4 m-85 -112.45 165.47 12.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' A' ' 135' ' ' HIS . 17.3 mt -78.7 108.32 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.465 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 10.9 mmt180 -77.47 138.89 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.8 tt -74.56 148.67 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.143 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.12 101.66 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 159.47 32.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 64.02 110.917 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 4.0 p -40.33 136.56 1.37 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 75.21 111.138 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 157.64 59.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 75.14 112.389 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.0 OUTLIER -111.57 110.26 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.904 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 156' ' ' GLN . 21.9 tt0 -36.4 118.37 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 74.11 110.91 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 149.12 66.87 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.698 2.265 . . . . 75.54 112.387 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.53 111.145 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.649 ' CB ' ' CH2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.699 ' CZ2' ' CG2' ' A' ' 132' ' ' VAL . 1.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 75.44 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -126.42 151.99 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 74.42 110.822 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 15.1 m-85 -131.82 143.81 50.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 74.43 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.14 99.94 2.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 71.22 112.499 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 52.09 104.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 75.44 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.2 pt -146.61 136.71 12.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 74.4 111.117 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 69' ' ' LYS . 53.8 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 75.54 112.36 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.88 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -49.74 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.02 111.134 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -59.75 -48.06 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.928 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.19 -56.29 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.77 -34.7 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.873 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.29 -42.44 65.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.845 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -60.35 -29.27 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.16 -55.58 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.953 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -41.81 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -19.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 58.1 mm-40 -75.15 170.28 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.93 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -109.17 -28.81 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -70.94 -169.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 64.3 110.876 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.53 116.1 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.833 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.74 23.76 5.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 72.31 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 129.15 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 75.04 111.113 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -108.97 145.33 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.899 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 62' ' ' PHE . 3.5 tt -149.89 113.61 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.566 HD13 ' CH2' ' A' ' 60' ' ' TRP . 22.3 mt -89.76 123.37 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.097 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 142.33 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 62.53 110.868 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -102.59 156.74 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.52 110.867 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 m -91.46 160.91 15.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.845 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -49.93 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 4.23 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 61.32 110.876 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.38 88.82 8.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 75.23 111.055 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 111.42 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 72.43 112.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.21 -15.35 9.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.93 121.75 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 74.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 128' ' ' LEU . 59.4 m-85 -117.38 143.71 45.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -142.64 122.96 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.1 tm? -94.59 135.51 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 73.14 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 97' ' ' LEU . 17.6 m -121.9 110.57 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.835 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.37 138.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 71.22 111.168 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -89.09 139.22 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.509 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 17.4 m-85 -137.94 92.42 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.01 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.67 -98.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 63.43 112.47 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -120.67 21.66 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 71.52 110.922 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -141.77 121.83 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.88 102.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 73.54 111.115 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -84.83 173.81 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.924 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.566 ' CD2' HBC1 ' A' ' 174' ' ' DTF . 0.2 OUTLIER -148.87 169.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.87 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.48 124.46 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.874 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -76.92 114.74 16.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.906 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.27 134.34 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.134 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.5 mm? -105.17 137.95 42.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.973 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 124.67 25.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.864 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.81 175.28 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.52 -61.59 2.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.447 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -177.91 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 63.22 111.119 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.12 17.68 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 73.13 112.491 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 124.14 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 74.43 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.1 154.58 17.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.91 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 2.8 p90 -171.02 156.99 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 74.34 110.837 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 131' ' ' LEU . 4.4 mp -123.87 -94.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.919 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -76.43 -72.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 -33.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 70.04 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.539 HG21 ' CZ ' ' A' ' 125' ' ' PHE . 9.9 p -74.2 145.7 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.13 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 125' ' ' PHE . 7.6 pttt -138.7 167.31 22.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.917 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 123' ' ' VAL . 5.5 m-85 -156.41 -176.58 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.885 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -92.01 -56.72 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -103.01 177.31 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.903 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.516 HD12 ' CE1' ' A' ' 95' ' ' PHE . 61.7 mt -81.34 -27.07 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -61.84 -25.64 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.889 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.27 -26.09 60.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.866 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -80.86 -46.63 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.879 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.699 ' CG2' ' CZ2' ' A' ' 60' ' ' TRP . 7.2 t -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.109 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -57.98 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.22 -60.22 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 70.32 110.951 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CD2' HG12 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -57.66 -26.58 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.879 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.92 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.855 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.6 p -96.95 -20.39 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 71.21 110.827 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -119.74 153.02 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.159 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.8 p -39.96 160.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 54.44 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' A' ' 135' ' ' HIS . 35.4 m -138.35 -43.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 73.3 111.181 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.28 138.02 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.874 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -87.78 31.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.88 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -52.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.859 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.17 -165.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 71.15 110.941 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.93 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.35 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.0 mt -130.61 157.85 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.157 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -121.72 169.65 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.97 108.77 15.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 75.33 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.99 128.89 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -57.14 103.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 75.44 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.2 tt -60.64 151.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.138 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 87.07 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 154' ' ' VAL . 40.9 tp60 -52.26 154.47 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.886 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.0 p -35.01 124.22 0.57 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 73.11 111.128 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.93 69.27 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.254 . . . . 72.41 112.351 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.13 81.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -177.13 129.4 0.33 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.661 0.743 . . . . 74.14 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 168.9 20.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 75.01 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.146 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.566 HBC1 ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.433 ' HA ' ' CG2' ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 75.01 110.918 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 1.4 t80 -94.05 150.68 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 4.7 m-85 -132.3 145.21 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -96.82 119.32 6.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 63.04 112.508 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.5 mtmt 36.14 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 74.31 110.866 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.99 135.15 19.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 74.34 111.104 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.1 Cg_endo -69.75 142.41 47.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 65.21 112.347 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.1 mtp180 -34.05 -46.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -51.97 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -49.59 64.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 64.04 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.54 43.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 63.51 111.075 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 45.7 mt-10 -53.6 -30.97 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.921 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.14 -45.67 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 73.44 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 31.0 mmt -55.9 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.31 -41.1 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -57.59 -47.64 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.802 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -56.39 -26.37 52.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' NE2' HG12 ' A' ' 151' ' ' ILE . 44.9 mm-40 -60.46 163.6 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.871 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -104.49 -30.51 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.03 -176.06 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.912 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.95 108.47 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.835 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.14 21.31 2.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 63.23 112.509 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.52 134.64 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 72.52 111.032 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -112.54 142.23 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 6.0 tt -143.93 120.75 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.938 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.57 118.57 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -106.76 145.78 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.903 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 88' ' ' SER . 5.5 tt0 -100.4 147.9 25.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.915 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.454 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -76.45 168.63 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.844 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -58.25 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 15.83 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.877 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB1' ' CB ' ' A' ' 88' ' ' SER . . . -127.57 89.22 51.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 72.25 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.86 15.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 75.34 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.38 9.27 73.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 63.24 112.466 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.33 123.94 42.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 74.52 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' A' ' 128' ' ' LEU . 19.9 m-85 -121.6 144.03 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.926 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 t -139.24 123.42 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.04 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.7 tm? -95.3 139.0 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 73.54 110.916 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.456 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -128.75 111.36 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.33 110.886 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -108.22 140.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 74.54 111.137 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -88.1 136.68 32.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 15.6 m-85 -136.4 92.74 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.897 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.74 -108.01 2.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 75.43 112.517 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -110.22 24.82 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 73.34 110.885 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -144.19 135.15 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 72.04 110.864 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 61.3 t -101.75 100.22 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -84.91 173.49 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CD2' HBC1 ' A' ' 174' ' ' DTF . 0.3 OUTLIER -153.89 168.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.883 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -141.95 120.6 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.89 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -69.13 116.68 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.917 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.61 138.3 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.32 111.174 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -104.25 136.03 44.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.937 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -121.64 173.31 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.831 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.55 176.85 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.871 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.96 24.13 5.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.436 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.27 -37.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 74.13 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.85 36.23 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 73.52 112.487 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.35 160.02 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 72.04 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -119.18 153.68 34.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -168.65 160.58 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 73.42 110.864 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -152.88 135.79 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.901 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 174' ' ' DTF . 67.0 m95 61.8 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.933 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -140.46 -48.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.149 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 134' ' ' TYR . 8.9 p -47.78 153.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.34 111.174 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 8.6 mtmm -142.51 141.44 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 28.6 m-85 -153.4 172.27 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.927 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -94.09 -42.87 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.853 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.9 176.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.3 110.9 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 95' ' ' PHE . 78.0 mt -82.65 -39.99 21.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -50.52 -33.71 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.23 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -69.63 -37.2 76.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.928 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -55.78 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.903 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 34.6 m -52.36 -39.38 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 72.2 111.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -65.41 -62.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.562 ' CD2' HG21 ' A' ' 123' ' ' VAL . 23.2 t80 -44.82 -44.12 9.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.915 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.444 ' CB ' HD12 ' A' ' 148' ' ' LEU . 17.9 m80 -75.56 -22.17 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.836 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' ASP . 32.8 ttt-85 -68.12 -31.0 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.851 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.7 p -97.34 -26.12 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 97.6 m -109.12 134.24 51.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.54 111.132 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.0 p -41.16 162.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 53.12 110.839 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 94.0 t -136.02 -35.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 73.1 111.113 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -84.97 135.66 33.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.848 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.49 25.89 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.91 -43.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.868 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 170.27 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.893 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 83.04 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 41.2 mt -128.4 157.26 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 25.1 m-85 -117.23 172.07 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.866 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 135' ' ' HIS . 71.7 mt -85.11 110.49 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.52 137.27 34.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.01 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 105.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.863 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.47 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.3 tt -60.56 148.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.4 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.39 103.53 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.03 110.871 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -53.22 136.47 36.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.33 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.74 127.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.23 111.173 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.6 23.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 73.53 112.387 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -135.0 83.73 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 75.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.51 132.44 2.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 74.44 110.881 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.93 67.33 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 70.24 112.367 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.176 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.435 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 13.9 p-90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.312 . . . . 71.53 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -90.7 145.58 24.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 71.41 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 84' ' ' LEU . 21.9 m-85 -129.94 128.69 42.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.37 -93.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 72.21 112.452 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.26 109.05 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 73.51 110.922 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -146.8 138.74 13.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 74.14 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.65 51.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 74.14 112.372 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -39.42 -36.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.95 -59.03 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 61.05 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -41.94 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.845 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.07 -53.05 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.104 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 91.6 mt-10 -49.71 -36.55 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.849 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.73 -41.44 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.866 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.3 mmt -62.91 -32.33 73.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.869 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.51 -47.93 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -55.42 -46.75 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.851 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -52.92 -23.11 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.901 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.8 mm-40 -68.27 171.2 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -111.68 -29.32 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.17 -176.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.855 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -127.38 116.32 20.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.47 25.77 3.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 62.11 112.481 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.33 123.6 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 62.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 60' ' ' TRP . 5.8 p90 -106.88 135.78 47.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -148.53 120.09 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.896 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.5 mt -98.1 119.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.145 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' NH2' ' OAF' ' A' ' 174' ' ' DTF . 4.7 ptt85 -114.34 142.15 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.838 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.49 160.12 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.463 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -72.3 147.9 45.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.846 -179.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.95 -68.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 63.1 110.898 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -101.29 33.99 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.897 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 88' ' ' SER . . . -143.91 88.85 7.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 72.4 111.089 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 123.91 10.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.282 . . . . 72.31 112.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.05 -21.59 31.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 72.54 112.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.35 110.33 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 73.24 110.872 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 43.9 m-85 -101.64 139.03 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.929 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.2 p -139.88 119.86 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.2 tp -88.9 151.19 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.903 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 t -139.94 106.48 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.864 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -104.59 136.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.124 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.543 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.7 m-85 -113.06 93.2 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.921 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.44 -124.11 24.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 75.13 112.447 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -97.52 28.46 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 73.42 110.924 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 125.89 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.87 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.453 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 95.1 t -90.68 113.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.52 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -95.96 172.41 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.952 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -147.81 171.53 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.891 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -147.85 118.1 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.54 110.908 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -68.53 122.83 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.915 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -86.66 140.75 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.25 111.15 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CAS' ' A' ' 174' ' ' DTF . 1.5 mm? -118.04 138.61 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.931 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.477 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -136.17 157.17 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.877 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.41 -176.9 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.854 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.06 36.55 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 71.24 112.46 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.57 -39.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 63.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 29.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.715 -0.755 . . . . 65.5 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -111.25 122.17 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.0 m-85 -91.66 153.53 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.89 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -168.22 170.62 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.863 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.32 -88.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -85.01 -71.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.962 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.36 -29.4 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.107 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 125' ' ' PHE . 3.3 p -75.49 149.88 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.127 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.414 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.1 pttp -143.69 166.13 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.896 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 131' ' ' LEU . 40.5 m-85 -155.12 177.17 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 74.24 110.895 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -87.38 -41.65 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 154.06 49.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.838 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 131' ' ' LEU . 17.8 mt -59.06 -27.09 65.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.893 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.97 -34.54 60.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -65.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.22 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -48.41 -33.56 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.93 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.32 -63.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.12 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -54.84 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.863 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.19 -50.72 36.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.963 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 2.1 m-70 -64.66 -18.88 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.88 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.14 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 65.23 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.7 p -104.86 -5.13 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.865 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 m -131.12 148.74 52.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 65.11 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 p -43.7 161.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.16 -37.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.21 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.8 t -88.75 142.54 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.889 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -88.33 26.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 75.53 110.899 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -130.06 -49.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -125.29 -177.64 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -107.34 61.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 147' ' ' PHE . 38.0 mt -96.78 147.89 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 62.51 111.102 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.446 ' N ' HG22 ' A' ' 146' ' ' ILE . 21.2 m-85 -113.18 167.47 10.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.882 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 40.2 mt -80.29 108.85 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.891 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -78.9 131.89 36.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.5 110.874 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 112.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.416 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.1 tt -71.89 139.48 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 73.42 111.097 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 4.0 tt0 -81.22 80.82 7.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 154' ' ' VAL . 11.6 tm0? -61.64 141.87 57.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.1 p -35.4 125.0 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 70.3 111.113 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.76 20.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.733 2.288 . . . . 72.24 112.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -102.6 95.19 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -107.73 82.74 1.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 74.22 110.94 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 172.96 11.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.725 2.283 . . . . 75.42 112.372 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 64.44 111.123 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.517 ' CAS' ' HG ' ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.467 ' N ' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 71.42 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.99 152.83 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 2.3 m-85 -137.59 124.07 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.67 -93.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.467 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -131.84 103.56 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 72.34 110.899 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.88 140.19 35.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.633 0.73 . . . . 71.21 111.131 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.81 141.22 44.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 73.04 112.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.487 ' N ' HH21 ' A' ' 86' ' ' ARG . 1.8 ptm180 -33.39 -43.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.19 -59.19 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.121 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -46.3 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.0 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.108 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -59.54 -28.63 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.827 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.08 -44.4 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.13 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.1 mmt -59.33 -38.48 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.875 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.5 -40.41 23.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 75.35 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -58.96 -42.34 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -25.08 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -58.97 169.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.07 -22.65 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.889 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -82.38 -164.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.882 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.29 117.64 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.42 22.29 6.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 71.54 112.497 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 128.9 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.33 111.062 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.493 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 1.3 p90 -106.82 146.51 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.891 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.69 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 2.1 tt -154.04 114.08 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.3 mt -92.48 114.06 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.136 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.487 HH21 ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -109.12 152.56 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.865 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.78 142.72 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 m -72.21 161.78 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 70.42 110.888 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -37.4 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.858 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.25 3.68 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.879 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.77 95.31 35.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.7 . . . . 73.15 111.079 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.54 60.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 72.44 112.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . 62.39 24.88 66.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 74.24 112.462 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.44 121.72 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.42 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -115.21 140.05 49.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.895 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -138.57 120.22 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.795 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 1.9 tm? -88.62 137.09 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 75.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.409 ' N ' HD11 ' A' ' 97' ' ' LEU . 7.5 m -121.14 106.76 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.02 110.862 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.573 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -108.53 137.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.31 111.12 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -85.73 139.97 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.573 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 29.0 m-85 -136.2 92.81 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.89 -115.99 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.765 . . . . 73.14 112.522 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.33 6.61 44.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 73.1 110.912 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.34 131.83 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 75.23 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.437 ' CG1' ' OE1' ' A' ' 71' ' ' GLU . 92.9 t -99.48 137.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 74.33 111.143 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.468 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 48.8 mt-30 -117.36 173.53 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.897 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.45 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 6.6 m80 -137.52 171.94 13.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.859 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -144.22 119.32 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.477 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -70.48 115.12 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.13 110.879 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.57 128.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.34 111.157 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 119' ' ' PHE . 3.9 mm? -92.95 137.52 32.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -132.29 132.92 43.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.84 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.81 171.6 19.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 44.24 110.853 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 115' ' ' ALA . . . 80.75 -46.16 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 73.53 112.52 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' GLY . . . 167.73 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 70.12 111.117 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.41 19.86 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 73.44 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -92.09 133.4 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 73.35 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 9.2 m-85 -101.43 161.36 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 74.14 110.921 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 8.9 p90 -171.4 159.77 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -159.99 160.91 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 174' ' ' DTF . 98.5 m95 40.28 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 120' ' ' LEU . 13.8 t -141.17 69.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 125' ' ' PHE . 2.1 p -179.8 152.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.164 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 156.42 45.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.891 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 123' ' ' VAL . 61.2 m-85 -156.41 179.29 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.884 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -97.75 -43.5 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.51 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.61 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.876 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.9 -34.73 77.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.939 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.28 -39.56 60.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.928 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.443 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -58.08 -27.4 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.908 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 120' ' ' LEU . 7.5 mp -80.44 -44.4 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.23 110.938 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.493 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 18.7 t -57.47 -49.49 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.119 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.85 -54.13 30.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 43.42 110.863 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.482 ' CE1' HG21 ' A' ' 138' ' ' THR . 7.0 t80 -45.74 -53.16 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.915 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.429 ' CE1' HD23 ' A' ' 120' ' ' LEU . 40.4 m80 -66.54 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.11 110.808 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.856 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.0 t -99.7 -28.0 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.482 HG21 ' CE1' ' A' ' 134' ' ' TYR . 3.9 t -108.56 154.18 22.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.094 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.6 t -46.37 167.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 141' ' ' SER . 35.3 m -132.72 -37.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 70.51 111.161 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.544 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 40.9 p -94.78 163.06 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.33 110.855 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -102.47 21.62 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.864 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -128.01 -48.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -179.88 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.924 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -100.32 76.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.92 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 147' ' ' PHE . 34.7 mt -99.81 158.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.453 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 25.0 m-85 -130.27 165.46 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 99' ' ' VAL . 13.0 mt -75.15 109.11 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 62.41 110.888 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -86.24 143.99 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -57.4 124.97 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -101.5 149.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.105 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.471 ' N ' HD13 ' A' ' 151' ' ' ILE . 0.1 OUTLIER -59.69 103.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.886 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -101.05 154.06 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.4 110.918 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.4 p -43.03 127.82 3.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 70.01 111.131 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.49 45.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 71.11 112.363 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -171.02 85.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.939 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.24 117.33 3.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.24 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.65 30.32 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.692 2.262 . . . . 64.54 112.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.139 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 74.55 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -94.28 138.12 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CD1' HD12 ' A' ' 84' ' ' LEU . 14.7 m-85 -125.15 131.73 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.871 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -49.1 -91.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 73.12 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 101.42 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.696 0.284 . . . . 74.32 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.12 137.22 30.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 74.02 111.126 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.73 145.17 56.49 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.282 . . . . 74.0 112.31 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.3 ptm180 -36.23 -45.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.04 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -54.56 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 71.01 111.076 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -49.79 -38.02 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.94 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.26 94.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.35 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' SER . 1.6 mt-10 -68.44 -25.06 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.906 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.95 -40.55 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.21 -36.29 83.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.909 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 100' ' ' LYS . 15.3 mt -85.66 -47.32 9.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 70.4 110.919 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 29.6 t -51.32 -44.72 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.851 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -58.89 -26.53 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.52 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.452 ' NE2' HG12 ' A' ' 151' ' ' ILE . 54.1 mm-40 -61.41 164.46 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -105.39 -30.28 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 70.4 110.875 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.78 177.27 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.825 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.91 107.96 12.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 65.43 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.7 16.73 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 74.05 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -59.35 124.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 73.42 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 132' ' ' VAL . 19.5 p90 -106.9 150.7 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.837 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -159.91 113.79 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.93 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.4 mt -88.12 129.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.12 144.65 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.6 139.3 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 157.31 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.868 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.85 -49.47 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.856 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -10.77 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.863 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.47 89.76 50.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.555 0.693 . . . . 74.3 111.074 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 124.69 11.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 73.15 112.327 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.1 7.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 71.1 112.479 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' OD2' ' NZ ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -67.68 128.46 36.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 64.31 110.859 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 128' ' ' LEU . 46.1 m-85 -106.92 142.76 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.2 t -138.79 115.16 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 53.2 110.884 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 2.6 tm? -88.21 128.07 35.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.24 110.929 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.01 110.13 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.844 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.561 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -110.51 127.69 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 72.3 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 29.0 tttm -85.2 116.43 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 9.4 m-85 -114.61 96.64 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.36 -121.25 26.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 72.44 112.493 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.69 22.68 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.44 110.842 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.3 110.74 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 72.52 110.892 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.487 HG13 ' CG ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.07 120.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.53 111.11 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 2.1 mm-40 -101.78 173.83 6.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -143.66 164.19 31.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.838 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -135.14 128.46 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -77.34 116.95 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.904 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.17 119.2 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.113 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD11 ' CAT' ' A' ' 174' ' ' DTF . 3.0 mm? -89.93 143.56 26.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.911 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -136.9 174.36 10.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.887 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.13 -167.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.849 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.73 31.29 6.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 75.03 112.473 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.06 10.14 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.01 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.39 36.14 50.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 71.01 112.514 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.475 ' HZ2' ' ND2' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.336 . . . . 72.02 110.857 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -114.47 155.21 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.1 OUTLIER -171.39 163.33 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.5 110.853 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.8 -88.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 70.13 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.49 ' CZ2' ' HB2' ' A' ' 174' ' ' DTF . 17.5 m95 -78.1 -145.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.863 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.8 m -76.29 46.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.11 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 125' ' ' PHE . 5.1 p -163.06 152.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 72.04 111.14 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.455 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -126.2 175.45 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.825 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.559 ' CE1' HD22 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -155.3 168.65 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.887 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.475 ' ND2' ' HZ2' ' A' ' 117' ' ' LYS . 3.2 m-80 -98.87 -42.53 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.868 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.2 t -127.55 167.06 16.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.83 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 95' ' ' PHE . 70.2 mt -70.8 -56.6 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -40.63 -35.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.892 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.05 -43.03 99.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 125' ' ' PHE . 5.3 mp -66.04 -49.52 67.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.928 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.531 HG11 ' CE2' ' A' ' 83' ' ' PHE . 82.7 t -53.08 -42.11 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.093 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.46 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.32 -23.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.929 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -79.15 -35.25 42.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 51.35 110.849 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -21.81 51.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 63.4 110.878 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 t -89.08 -30.45 18.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 139' ' ' SER . 3.2 m -123.04 147.84 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.164 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 138' ' ' THR . 79.1 p -41.75 159.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.832 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.9 -35.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.41 111.129 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 p -84.73 141.24 30.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.872 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 21.75 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.53 -54.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.869 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.51 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.909 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -109.67 88.57 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.09 163.9 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -122.85 173.74 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.897 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 99' ' ' VAL . 57.0 mt -84.03 109.2 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 54.42 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -79.95 138.45 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.851 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.09 110.34 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.866 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.452 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -68.39 143.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.133 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.51 84.65 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.897 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.3 OUTLIER -63.69 164.0 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.943 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.7 p -36.22 129.93 0.64 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 70.25 111.172 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 146.0 58.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 74.54 112.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -178.76 91.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.7 129.88 86.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 74.24 110.89 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.68 20.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 73.43 112.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 65.43 111.121 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.679 ' CZ2' ' CG1' ' A' ' 132' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 74.02 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -123.68 151.06 43.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 84' ' ' LEU . 15.3 m-85 -133.8 139.27 46.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.872 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.53 112.64 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 31.43 112.528 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 2.3 mppt? 44.63 96.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 74.32 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 pp -145.24 136.27 12.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 64.3 111.112 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.4 45.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 73.33 112.348 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -35.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.905 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.83 80.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.1 111.04 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -45.15 87.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 75.21 110.867 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -55.04 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 74.54 111.069 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.25 -36.04 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.885 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.34 -47.41 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.827 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 76' ' ' LYS . 36.4 mmt -54.26 -34.0 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 82' ' ' ALA . 8.6 mt -83.26 -50.28 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.42 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -50.09 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 73' ' ' MET . 2.0 ptpt -48.09 -29.19 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.901 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 40.9 mm-40 -66.28 -179.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.943 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -128.15 -33.31 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 60.34 110.909 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.98 -169.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.825 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -127.89 124.92 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 149' ' ' ARG . . . 112.38 19.69 6.97 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.512 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -59.02 106.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 72.42 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -104.33 150.91 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.916 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -157.45 126.95 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 60' ' ' TRP . 56.6 mt -101.13 129.13 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.163 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 154.35 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.15 147.34 44.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.33 176.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.857 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -100.81 -36.8 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.904 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.54 14.07 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.84 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.37 94.67 42.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 74.33 111.076 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.68 19.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 75.31 112.363 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.0 -1.44 67.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 54.44 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.0 109.01 18.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 61.34 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 128' ' ' LEU . 72.5 m-85 -117.96 137.62 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.924 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t -135.0 124.06 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.99 138.0 31.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m -129.49 108.39 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 63.53 110.869 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -111.74 147.82 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 73.34 111.11 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.17 123.53 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.889 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 146' ' ' ILE . 12.5 m-85 -129.09 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -126.51 19.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 71.32 112.448 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.03 25.7 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.36 . . . . 74.54 110.909 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -147.69 126.67 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.63 113.38 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 64.35 111.148 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' NE2' HAV1 ' A' ' 174' ' ' DTF . 3.2 mm-40 -94.38 173.16 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.896 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.25 168.42 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.828 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -144.93 115.59 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.467 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -65.1 110.67 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.869 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' HD21 ' A' ' 111' ' ' LEU . 57.4 t -76.04 131.39 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.131 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.511 HD12 ' CAT' ' A' ' 174' ' ' DTF . 3.0 mm? -109.8 151.47 26.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -150.68 158.34 44.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.897 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.34 172.03 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.98 34.76 2.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 73.43 112.517 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.69 -39.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 64.35 111.075 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.32 32.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 35.23 112.429 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.62 134.38 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 73.51 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -104.39 158.21 16.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.95 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -171.08 167.88 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.54 110.913 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.76 -77.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.569 ' CZ2' ' HD2' ' A' ' 142' ' ' ARG . 95.7 m95 -97.59 -67.5 0.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.922 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.26 -31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.104 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 148.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.163 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -138.04 172.91 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.895 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -158.0 170.78 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.866 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.17 -55.08 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 74.01 110.92 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -111.54 157.96 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.81 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 95' ' ' PHE . 70.3 mt -62.58 -23.76 67.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 75.11 110.956 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -34.96 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 62.01 110.875 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.1 OUTLIER -66.2 -22.57 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.898 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -56.59 4.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.921 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.679 ' CG1' ' CZ2' ' A' ' 60' ' ' TRP . 21.7 m -49.39 -42.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.126 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ARG . 18.6 t70 -76.46 -62.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.899 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 130' ' ' GLU . 20.1 t80 -37.18 -45.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.949 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 148' ' ' LEU . 83.4 m-70 -80.5 -30.97 37.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 73.25 110.824 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 133' ' ' ASP . 13.9 ttm180 -54.97 -28.84 54.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.871 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -113.35 -19.7 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.903 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.3 m -112.38 142.17 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 63.41 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -44.16 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.7 p -163.64 -35.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.3 t -85.76 126.08 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 75.1 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.569 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -81.09 -1.03 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -54.85 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.51 110.885 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.18 -172.99 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 53.23 110.878 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.67 72.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.533 HD12 ' CE1' ' A' ' 101' ' ' PHE . 85.3 mt -119.5 151.96 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.03 111.183 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -112.86 170.91 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.937 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 135' ' ' HIS . 15.7 mt -78.81 108.61 12.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 73.25 110.931 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HB3' ' C ' ' A' ' 81' ' ' GLY . 4.8 tpt180 -90.68 113.75 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.71 117.88 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 72.32 110.851 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.5 tt -68.45 152.76 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.46 103.93 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.843 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -52.29 168.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 p -37.68 133.27 0.83 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 70.32 111.106 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.85 64.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 73.33 112.35 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.26 81.02 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.93 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -155.62 153.9 27.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 75.51 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 159' ' ' THR . 53.4 Cg_endo -69.79 174.09 10.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.727 2.285 . . . . 74.4 112.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 158' ' ' PRO . 54.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.182 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' DTF . . . . . 0.511 ' CAT' HD12 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.473 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 4.5 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 75.42 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.0 t80 -86.67 148.19 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.913 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 12.0 m-85 -142.69 135.9 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.44 -121.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 64.4 112.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -91.48 109.12 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 72.02 110.889 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 84' ' ' LEU . 1.1 pt -145.0 135.69 12.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 61.22 111.139 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.34 60.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.676 2.251 . . . . 74.24 112.332 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -42.8 -33.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.4 110.874 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -58.14 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.068 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.92 30.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.928 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.32 32.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 62.34 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 62.8 mt-10 -47.44 -37.47 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.02 110.931 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.35 -38.72 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.81 -37.44 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 151' ' ' ILE . 7.8 mt -79.63 -48.93 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.957 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 p -57.11 -43.36 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -55.34 -23.78 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 75.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 78.3 mm-40 -61.69 -173.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.04 -29.63 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.53 110.848 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.19 -170.73 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.857 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -127.74 119.11 25.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 60.33 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.29 19.17 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.43 112.509 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -60.59 125.12 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 72.33 111.083 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.007 ' HB2' HD21 ' A' ' 97' ' ' LEU . 38.4 p90 -110.29 148.89 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.3 tt -151.84 117.38 5.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 53.52 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.473 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 62.7 mt -94.74 124.01 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.14 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 149.25 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -112.55 147.85 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.732 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.1 m -63.24 175.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.869 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' CB ' ' HG2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -95.19 -56.46 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.902 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 0.4 OUTLIER -104.0 2.85 32.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 60.15 110.839 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.732 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -107.18 82.56 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 62.41 111.082 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 70.32 112.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.4 10.04 30.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 64.05 112.453 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -103.65 143.8 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 71.23 110.858 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CG ' HD11 ' A' ' 128' ' ' LEU . 38.7 m-85 -142.86 137.23 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 p -139.15 121.33 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.007 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.2 tm? -89.86 135.97 33.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.904 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.769 ' N ' HD13 ' A' ' 97' ' ' LEU . 8.9 t -125.58 108.89 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.623 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.8 150.42 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.11 111.143 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -99.28 122.11 42.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.913 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 14.0 m-85 -123.13 97.22 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.69 -122.49 17.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.479 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 21.45 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 73.12 110.909 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -141.59 133.88 27.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 51.54 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.445 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 60.5 t -95.02 106.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 70.53 111.149 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -91.39 173.6 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -157.91 164.51 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.84 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -143.14 114.46 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 122.59 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 33.13 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.7 t -89.53 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 62.21 111.122 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 111' ' ' LEU . 2.5 mm? -109.39 179.52 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.884 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.79 156.31 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.842 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -152.46 146.92 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.869 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.48 -56.84 1.99 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.34 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 64.13 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.491 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -131.96 -23.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 34.42 112.508 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.91 125.26 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 74.21 110.864 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -110.55 169.49 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.946 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -171.38 176.59 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 64.12 110.87 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 131' ' ' LEU . 5.4 mp -125.85 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.24 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -111.53 -67.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.952 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.1 m -130.08 -4.23 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.099 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 9.9 p -100.36 138.01 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.129 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -142.19 158.73 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.45 110.896 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.43 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.4 m-85 -153.13 176.38 11.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -84.25 -46.51 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 64.52 110.85 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 t -114.42 157.18 23.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.694 HD11 ' CG ' ' A' ' 95' ' ' PHE . 13.1 mt -64.92 -27.12 68.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 62.41 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -35.0 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.869 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 3.2 mm-40 -67.8 -27.58 66.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 120' ' ' LEU . 4.3 mp -74.01 -55.41 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.926 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.5 m -56.2 -36.44 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.13 111.11 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -56.97 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.86 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -47.21 -44.69 22.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -77.14 -24.39 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -25.28 66.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.871 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -108.53 -25.56 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.915 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 48.7 m -113.35 145.04 41.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 70.43 111.171 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -42.01 160.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.844 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -142.77 -36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 60.42 111.119 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.62 149.54 25.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.31 25.11 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.875 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.45 -49.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.5 110.893 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 -178.46 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.15 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.9 87.0 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.32 110.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.5 mt -131.24 151.8 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.14 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.59 169.25 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 16.4 mt -79.54 108.97 13.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -82.41 133.14 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.2 111.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 61.22 110.853 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 74' ' ' LEU . 4.7 tt -71.24 143.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.53 111.152 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 2.0 tt0 -75.29 78.83 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 70.34 110.888 -179.901 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.739 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 5.3 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.05 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -84.55 144.26 28.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 14.1 m-85 -135.64 140.49 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.42 110.891 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.36 -140.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.767 . . . . 62.44 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.5 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 73.04 110.9 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -129.38 133.15 24.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 75.22 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.72 69.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 74.15 112.326 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.452 ' NH1' ' NE2' ' A' ' 107' ' ' HIS . 26.3 ttm-85 -45.37 -42.86 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.892 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.27 -51.82 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 42.14 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.15 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 62.21 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.51 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 62.24 111.106 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.598 ' HG2' HG11 ' A' ' 105' ' ' VAL . 50.6 mt-10 -57.43 -26.28 60.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -80.61 -44.4 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.61 -31.48 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.7 mt -86.31 -45.98 10.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -56.57 -50.92 70.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -48.02 -29.83 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 70.3 110.874 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' NE2' HG12 ' A' ' 151' ' ' ILE . 50.0 mm-40 -62.09 176.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.14 -33.7 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 60.42 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -171.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.832 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 105.13 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.39 22.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 61.22 112.499 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.66 122.79 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.335 . . . . 62.11 111.12 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.955 ' HB2' HD21 ' A' ' 97' ' ' LEU . 10.4 p90 -112.83 151.62 30.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.904 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -155.11 116.53 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.739 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 48.5 mt -90.89 123.31 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.01 111.114 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -109.06 155.78 20.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.03 110.833 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -118.19 138.0 52.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.86 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.583 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 56.2 m -58.13 174.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.815 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -103.91 -36.26 7.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.881 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.2 0.01 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -113.64 90.41 18.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 75.34 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 53.32 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.63 -4.46 34.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 55.24 112.441 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.31 118.4 24.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 53.54 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 128' ' ' LEU . 19.7 m-85 -118.2 141.08 48.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.15 110.901 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.34 124.82 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.912 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.955 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.5 tm? -91.74 136.08 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.701 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.8 t -121.59 111.17 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.865 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.67 145.83 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.31 111.155 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -97.79 131.48 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.679 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.1 m-85 -129.7 98.8 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.925 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.82 -108.76 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 62.52 112.505 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -112.54 18.35 18.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 74.35 110.923 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.61 131.96 36.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.598 HG11 ' HG2' ' A' ' 71' ' ' GLU . 91.9 t -96.11 107.55 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.122 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.647 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 42.4 mm-40 -95.29 171.46 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.924 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 1.1 m-70 -149.89 165.49 32.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.75 113.25 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.921 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 112.74 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.12 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 112' ' ' ARG . 41.3 t -71.68 124.19 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.35 111.133 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 1.0 OUTLIER -88.49 131.35 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.937 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -125.97 136.66 53.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.839 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.1 163.46 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 62.1 110.864 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.17 4.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 54.14 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -173.2 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 74.45 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.0 30.5 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 43.43 112.502 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -104.58 136.08 44.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 73.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.6 m-85 -105.57 162.3 13.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 3.6 p90 -171.5 168.25 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 70.32 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.2 mt -120.49 -88.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.888 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.484 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -159.25 19.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.918 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.29 -41.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.077 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.604 HG22 ' H ' ' A' ' 124' ' ' LYS . 8.7 p -143.18 170.27 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.138 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.604 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -117.35 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.917 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER -158.73 159.63 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 75.04 110.874 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.02 -35.84 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.41 110.871 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.6 t -136.46 172.2 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.861 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.754 HD11 ' CD2' ' A' ' 95' ' ' PHE . 57.4 mt -72.89 -45.89 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -36.82 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.11 84.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 70.11 110.886 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 125' ' ' PHE . 4.3 mp -74.52 -35.32 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.919 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 60' ' ' TRP . 9.0 t -58.1 -51.36 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 134' ' ' TYR . 0.5 OUTLIER -68.24 -53.62 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 54.54 110.888 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.4 t80 -36.76 -52.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 53.35 110.946 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.43 ' HB3' HD13 ' A' ' 148' ' ' LEU . 67.0 m80 -73.68 -37.2 65.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.911 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -48.46 -25.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.9 p -112.31 -31.79 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 65.41 110.851 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 52.9 m -103.22 140.28 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 43.24 111.126 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.1 p -39.19 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 63.45 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.26 -37.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.152 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.48 133.05 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.864 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -87.09 32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -131.49 -53.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.79 -171.26 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.945 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -108.28 97.28 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.92 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 147' ' ' PHE . 7.0 mt -134.46 159.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 61.54 111.176 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.46 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.8 m-85 -114.68 151.29 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.5 OUTLIER -70.74 109.0 4.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -86.14 134.05 33.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.24 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.87 107.79 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.461 HG12 ' NE2' ' A' ' 77' ' ' GLN . 5.1 tt -54.98 151.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 53.25 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.75 88.24 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.937 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.435 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 6.1 p-90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 51.04 110.946 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -112.95 140.78 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.86 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 28.3 m-85 -131.1 148.94 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 55.45 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.17 110.16 2.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 53.22 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 69.05 85.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.316 . . . . 62.52 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pp -148.04 132.37 8.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 65.01 111.097 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.07 66.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 72.52 112.367 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -30.1 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.53 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.43 71.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.65 77.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.888 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.71 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -55.41 -55.33 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 45.1 111.093 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -50.35 -34.85 25.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.15 -42.65 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.856 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 36.2 mmt -62.09 -29.98 70.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.3 mt -84.45 -46.34 11.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 65.04 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -43.35 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -25.85 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.888 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.479 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.1 mm-40 -61.07 179.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 75.55 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -118.18 -31.25 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.846 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -124.62 113.03 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.67 20.75 4.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 52.4 112.499 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.98 126.25 26.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.14 111.097 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.7 ' HB2' HD11 ' A' ' 97' ' ' LEU . 41.0 p90 -105.88 152.5 23.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD22 ' HB1' ' A' ' 70' ' ' ALA . 1.8 tt -154.74 117.93 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 60.14 110.936 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.435 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.2 mt -94.71 129.36 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.3 111.158 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -120.48 160.81 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.9 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -112.19 133.77 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -63.53 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.23 110.877 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -78.67 -35.71 44.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.823 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -95.8 -3.25 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.88 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.16 87.86 46.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 44.45 111.062 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 121.66 8.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.21 112.367 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.97 -14.51 44.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.542 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 132.37 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 42.21 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 128' ' ' LEU . 49.8 m-85 -115.69 144.37 44.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.839 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 p -142.88 123.08 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.857 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 83' ' ' PHE . 8.3 tp -88.06 147.9 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.875 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CE2' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -98.1 154.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 72.42 111.114 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 99' ' ' VAL . 14.0 ttpt -93.04 135.69 33.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 65.2 110.893 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CE2' HG12 ' A' ' 99' ' ' VAL . 28.3 m-85 -131.65 93.79 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.25 -109.97 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.464 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.58 25.47 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 74.23 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -150.29 139.07 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.885 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.68 124.05 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 70.54 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -111.26 172.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 60.43 110.913 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.56 160.56 42.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.854 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.532 ' HD1' HD23 ' A' ' 97' ' ' LEU . 57.6 m-85 -130.46 117.28 19.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 113.74 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.872 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.43 128.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 54.22 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -104.78 147.6 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 72.03 110.887 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -138.21 167.05 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.93 -169.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.7 33.41 5.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.491 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.53 -41.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 75.43 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.54 0.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 61.41 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 135.92 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 74.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HB2' HD13 ' A' ' 131' ' ' LEU . 67.0 m-85 -98.94 152.35 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.465 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -171.19 169.3 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.868 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -92.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -81.87 -52.76 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.943 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.65 -38.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.402 HG21 ' CE2' ' A' ' 134' ' ' TYR . 10.0 p -65.66 141.85 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.094 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 5.4 pttp -140.93 167.09 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 131' ' ' LEU . 36.1 m-85 -157.33 178.18 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.908 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -88.41 -43.29 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.911 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.63 164.58 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 71.05 110.82 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 95' ' ' PHE . 16.9 mt -69.24 -56.25 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 62.34 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 129' ' ' ASN . 5.0 t30 -37.72 -44.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.872 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.27 86.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -65.11 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 63.52 110.901 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 52.2 t -64.54 -37.35 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.04 111.13 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.06 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.88 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 138' ' ' THR . 26.5 t80 -52.85 -57.36 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.978 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.562 ' HA ' HG22 ' A' ' 138' ' ' THR . 1.2 t60 -56.96 -28.69 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.45 110.831 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -72.94 -25.86 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.863 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -96.44 -12.93 23.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.853 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 135' ' ' HIS . 12.7 t -120.41 154.19 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 75.43 111.126 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.2 p -42.8 160.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 141' ' ' SER . 7.2 p -131.47 -52.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 72.2 111.095 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.581 ' N ' HG13 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -88.57 139.09 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.57 33.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -129.87 -52.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.833 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -124.96 -179.52 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.883 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -105.27 91.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.1 147.08 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.1 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.88 154.34 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.9 108.97 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.08 137.49 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -63.84 108.92 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.479 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.5 tt -57.23 149.7 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 153' ' ' GLN . 2.8 mt-10 -106.12 95.43 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 152' ' ' GLU . 19.2 tp60 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.891 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.601 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.822 0.344 . . . . 72.33 110.944 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -127.75 152.84 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 51.42 110.875 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.853 ' CD1' HD11 ' A' ' 84' ' ' LEU . 3.4 m-85 -141.58 133.32 27.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.918 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.71 -115.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 63.14 112.44 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.7 101.18 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.299 . . . . 74.42 110.885 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG21 ' HD2' ' A' ' 62' ' ' PHE . 1.1 pp -134.95 139.88 33.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 72.23 111.151 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.74 141.33 45.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 75.32 112.331 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.0 ttm180 -35.16 -41.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.51 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.0 -57.64 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -43.45 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.22 -56.34 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.105 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.4 OUTLIER -53.9 -31.89 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.86 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -73.29 -45.78 53.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.853 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.2 mmt -55.64 -32.05 62.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 151' ' ' ILE . 4.2 mt -88.11 -49.93 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.02 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -46.94 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 43.34 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -55.17 -19.51 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.32 110.905 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.463 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.8 mm-40 -72.21 164.05 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.12 110.893 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -101.15 -38.18 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 63.52 110.871 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.54 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.78 107.54 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 70.23 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.82 21.17 2.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 63.04 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.21 128.01 34.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 24.32 111.087 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.918 ' HB2' HD21 ' A' ' 97' ' ' LEU . 2.0 p90 -110.73 149.63 30.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.6 tt -152.2 113.81 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.86 112.39 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 64.31 111.084 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.59 154.31 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.842 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.97 135.69 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.857 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.592 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.0 m -44.22 165.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 55.54 110.851 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 -18.73 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.05 110.833 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.32 5.36 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.51 110.855 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -123.55 94.76 45.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 71.44 111.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.78 120.8 7.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 74.1 112.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.04 -14.62 40.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 70.53 112.514 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -72.35 131.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.11 110.917 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 128' ' ' LEU . 50.2 m-85 -124.01 132.88 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.883 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 p -138.62 120.82 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.854 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -90.04 134.91 33.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.946 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.777 ' N ' HD13 ' A' ' 97' ' ' LEU . 6.4 t -119.76 112.71 19.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.807 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.638 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.43 139.34 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.44 111.133 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -85.98 134.78 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.5 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.638 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 12.9 m-85 -139.17 92.05 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 72.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.19 -130.21 21.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.519 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -91.56 15.14 13.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 64.3 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.35 122.44 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.854 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 71' ' ' GLU . 54.8 t -88.67 115.32 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 44.13 111.167 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -91.89 173.73 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -145.69 167.03 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 60.05 110.872 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 120' ' ' LEU . 14.9 m-85 -139.15 126.38 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.2 123.68 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.38 130.54 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 71.42 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 2.0 mm? -100.1 148.23 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.903 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' NH2' ' OD1' ' A' ' 94' ' ' ASP . 10.0 mtm105 -136.09 121.78 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.853 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.92 176.1 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.843 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.23 -58.43 4.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 70.24 112.502 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -178.59 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 70.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.46 23.43 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 71.43 112.448 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -97.92 146.45 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 74.01 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CZ ' ' HG ' ' A' ' 128' ' ' LEU . 16.0 m-85 -109.09 160.98 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 7.0 p90 -170.9 166.12 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 71.12 110.891 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -138.31 -84.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.924 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -79.46 -81.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 70.53 110.933 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' VAL . 12.6 p -134.58 10.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 62.11 111.105 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 p -115.23 145.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 51.14 111.146 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -142.92 166.97 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.926 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 33.7 m-85 -158.13 178.32 10.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.888 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.31 -47.58 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.16 161.55 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.902 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 42.6 mt -67.54 -35.25 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 54.21 110.905 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -50.81 -42.73 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.838 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -55.76 -24.41 35.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -41.98 18.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.925 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 83' ' ' PHE . 15.6 t -58.88 -42.18 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.33 111.148 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ARG . 1.9 t0 -74.29 -57.3 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.825 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.1 t80 -42.99 -36.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.918 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.679 ' ND1' HG12 ' A' ' 140' ' ' VAL . 17.0 m-70 -83.54 -29.9 27.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.859 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ASP . 4.7 ttt180 -59.05 -28.88 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.25 110.866 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.03 -29.13 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 64.5 110.87 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 92.6 m -107.81 136.12 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.23 111.154 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.1 p -52.62 159.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 54.05 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.679 HG12 ' ND1' ' A' ' 135' ' ' HIS . 3.4 m -127.49 -10.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.124 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.47 141.2 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.901 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 19.5 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.878 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -123.64 -42.82 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 71.11 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.01 -178.64 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -108.55 93.9 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 147' ' ' PHE . 47.6 mt -133.38 156.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.463 ' N ' HG22 ' A' ' 146' ' ' ILE . 27.7 m-85 -115.18 161.45 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' A' ' 135' ' ' HIS . 6.6 tp -82.68 109.43 16.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.923 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -93.11 130.67 38.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.882 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 111.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.2 110.861 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 4.9 tt -57.87 150.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -99.4 95.4 7.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 63.43 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.806 0.336 . . . . 73.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.6 t80 -102.11 151.16 22.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 4.9 m-85 -137.29 131.75 32.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.96 -164.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 73.54 112.49 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -58.81 97.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.784 0.326 . . . . 74.51 110.921 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.1 pt -128.23 137.03 29.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 72.31 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 75.21 112.354 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 10.5 mtp180 -33.13 -44.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.828 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -52.7 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.109 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.3 tptt -53.35 -48.17 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.33 110.94 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.063 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.38 -32.39 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.93 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -75.91 -44.19 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 61.41 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.6 mmt -55.45 -32.81 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 84' ' ' LEU . 5.4 mt -88.82 -44.35 10.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -55.6 -40.03 71.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.836 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -23.32 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.22 110.906 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -65.33 164.2 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -102.86 -32.22 9.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 74.02 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -171.44 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 63.43 110.878 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -131.76 118.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 51.4 110.899 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.92 26.71 5.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 42.2 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.15 129.29 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 44.05 111.094 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HE2' HG11 ' A' ' 132' ' ' VAL . 2.5 p90 -108.67 137.91 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -148.44 119.16 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 75.3 110.937 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.82 124.66 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.147 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' NH1' ' HA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -114.75 151.01 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.912 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 88' ' ' SER . 1.4 tt0 -97.81 146.97 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.873 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.663 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 72.8 m -69.57 162.27 27.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.853 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 1.5 mt-10 -87.14 -59.42 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.07 28.43 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.869 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.663 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -141.19 83.1 14.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 31.1 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.86 26.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 73.31 112.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.89 2.91 74.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.707 -0.759 . . . . 53.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.04 134.7 44.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 73.02 110.853 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.5 ' CD2' HD11 ' A' ' 128' ' ' LEU . 24.3 m-85 -123.85 139.86 53.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.844 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 p -137.98 124.78 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 44.15 110.834 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 98' ' ' SER . 37.7 tp -88.33 157.93 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 61.54 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -147.92 105.78 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.876 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -105.63 149.9 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 61.32 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -95.27 133.06 39.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.9 m-85 -132.06 99.78 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 61.43 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.22 -119.21 14.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 30.24 112.512 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.32 19.35 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 64.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.35 143.48 37.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.898 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -109.78 114.37 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.112 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -101.22 170.93 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.887 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.57 168.68 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 71.21 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -138.41 119.11 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.875 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 127.08 31.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.92 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 120' ' ' LEU . 21.7 t -104.17 140.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 64.54 111.047 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 mp -121.21 165.92 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.5 110.88 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 134.89 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 61.13 110.851 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.9 165.55 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.852 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.672 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 79.84 -45.03 2.87 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 62.3 112.494 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 161.47 -20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 74.31 111.132 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -166.65 -31.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.528 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.03 117.49 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.14 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.508 ' HB2' HD13 ' A' ' 131' ' ' LEU . 65.5 m-85 -90.34 159.17 16.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.901 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 120' ' ' LEU . 2.0 p90 -170.85 167.51 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 65.43 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' VAL . 8.5 mp -136.3 -94.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.92 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.598 ' CD1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -151.55 14.95 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.872 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 121' ' ' TRP . 4.7 m -132.65 -31.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 72.44 111.169 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 124' ' ' LYS . 6.0 p -168.25 171.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 61.43 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -142.43 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.01 110.902 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -154.27 177.01 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -46.27 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.3 m -118.1 174.21 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.874 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 95' ' ' PHE . 45.1 mt -74.31 -42.73 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.31 110.892 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 132' ' ' VAL . 23.7 t30 -45.51 -50.83 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.902 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.98 -27.74 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.831 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -71.96 -49.43 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.929 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 129' ' ' ASN . 31.0 m -64.06 -31.12 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.114 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -48.52 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 138' ' ' THR . 35.0 t80 -73.73 -33.33 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.907 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.668 ' HB3' HD11 ' A' ' 148' ' ' LEU . 1.5 m170 -71.39 -36.96 71.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 70.25 110.853 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 136' ' ' ARG . 2.7 ptm85 -75.38 -29.18 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 65.13 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -16.58 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.843 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 134' ' ' TYR . 1.2 t -118.8 152.92 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.163 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -48.55 160.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.878 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 25.7 m -143.07 -36.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.12 132.21 34.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.85 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -88.6 22.13 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.46 -51.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 45.53 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -125.12 -174.87 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 73.32 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.04 87.0 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 23.0 mt -125.0 150.94 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 70.53 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.41 159.96 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.885 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 135' ' ' HIS . 50.6 mt -72.6 108.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 71.1 110.934 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -77.04 136.03 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.19 112.92 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 74' ' ' LEU . 4.7 tt -75.43 147.54 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.115 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.04 88.49 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 62.15 110.928 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 62' ' ' PHE . 3.5 tp-100 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.932 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.708 0.29 . . . . 63.04 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.1 144.45 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 72.23 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 84' ' ' LEU . 6.6 m-85 -128.51 127.94 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.89 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 61.4 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 108.99 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 73.13 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.94 145.87 52.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 74.03 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.4 Cg_endo -69.8 135.34 30.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 53.42 112.342 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' PRO . 18.0 ttm180 -33.41 -38.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' PRO . . . -56.41 -55.98 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.156 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -41.78 68.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.864 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.73 -61.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.2 111.104 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -52.65 -32.28 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.878 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.66 -44.82 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mmt -56.94 -36.61 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 98' ' ' SER . 3.8 mt -80.59 -46.67 15.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.53 110.918 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -56.15 -47.15 78.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -21.91 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.943 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.473 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.1 mm-40 -67.51 169.49 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -109.8 -33.58 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.857 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -175.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.868 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.82 110.35 12.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 65.05 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.95 17.6 3.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 45.2 112.532 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.92 131.17 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 51.13 111.11 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.816 ' HB2' HD21 ' A' ' 97' ' ' LEU . 4.8 p90 -121.87 154.53 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.868 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.0 tt -157.05 120.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.546 HG13 HD23 ' A' ' 97' ' ' LEU . 58.3 mt -94.82 115.86 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 64.3 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -108.53 152.15 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.921 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.06 146.15 47.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.882 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -48.98 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 53.22 110.836 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -47.53 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.53 36.23 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.866 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -144.68 87.7 7.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 70.21 111.115 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.74 3.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 53.52 112.331 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.07 -18.4 5.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 71.32 112.507 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.32 110.21 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 74.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.54 136.13 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 p -141.6 127.8 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 55.54 110.851 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 83' ' ' PHE . 3.3 tm? -91.37 134.21 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.949 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.476 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.84 111.09 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 45.31 110.882 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.64 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.55 138.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 53.34 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -84.57 134.71 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.25 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.64 ' CE2' HG11 ' A' ' 99' ' ' VAL . 13.3 m-85 -139.97 92.16 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.872 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.22 -123.22 9.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 51.24 112.472 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.05 10.95 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 65.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.74 126.22 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.847 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.467 ' CG1' ' OE2' ' A' ' 71' ' ' GLU . 76.1 t -90.87 122.31 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.159 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 83.6 mt-30 -91.56 173.78 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.869 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' CE1' ' OE2' ' A' ' 71' ' ' GLU . 1.8 m-70 -142.79 158.7 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -137.31 110.34 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 120.67 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.896 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 52.4 t -83.54 127.67 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 52.12 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 142.22 32.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.868 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.08 134.19 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.14 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.62 172.07 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.33 110.85 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.88 -68.84 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 52.33 112.51 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.13 -56.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.4 111.134 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.42 39.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 72.03 112.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -105.73 109.17 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 53.13 110.905 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -88.77 154.5 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 62.13 110.958 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -168.82 166.24 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.91 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.29 -94.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -74.24 -71.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.899 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.2 m -132.98 -31.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 71.45 111.133 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 134' ' ' TYR . 9.1 p -71.7 142.08 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -136.6 166.53 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.914 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HD2' HD12 ' A' ' 131' ' ' LEU . 89.2 m-85 -158.33 175.94 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.1 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.33 -45.62 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.929 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.8 p -107.58 156.58 18.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.818 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.9 -44.07 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 71.41 110.928 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -44.65 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -43.05 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 44.53 110.898 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 125' ' ' PHE . 2.3 tp -62.77 -55.22 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.898 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 87.8 t -48.54 -42.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.15 111.121 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.04 -59.66 4.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.876 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.464 ' CD2' HG21 ' A' ' 123' ' ' VAL . 10.6 t80 -49.36 -32.91 12.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -28.88 60.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -29.7 61.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 63.45 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -94.61 -14.56 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.9 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 73.0 m -119.26 150.92 39.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 42.32 111.134 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.7 p -45.19 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.8 t -128.44 -57.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.152 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.8 138.67 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 51.02 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -87.07 29.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.845 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.99 -48.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 54.24 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 -167.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.55 110.928 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -110.45 89.42 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -131.89 151.05 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.109 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -112.88 168.42 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -81.39 110.49 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.04 110.909 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -90.49 134.79 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.27 110.82 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.473 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.1 tt -52.82 143.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' GLN . 3.8 tt0 -81.54 91.73 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.898 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 152' ' ' GLU . 1.5 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.87 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CB ' ' CE2' ' A' ' 83' ' ' PHE . 2.6 p-90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -92.4 142.81 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 73.23 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 18.0 m-85 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.55 -103.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.52 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -113.45 103.04 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 71.34 110.864 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.57 134.76 16.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 73.23 111.135 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.65 58.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.44 112.381 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.4 ptp85 -41.16 -37.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -58.81 -56.46 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 61.22 111.09 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.02 -46.44 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.54 -54.01 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 44.22 111.071 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.58 -34.74 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.41 110.853 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.88 -39.34 61.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 70.33 110.896 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.0 mmt -65.98 -33.05 74.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 mt -81.05 -43.27 19.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 62.3 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.42 ' HA ' ' CD ' ' A' ' 100' ' ' LYS . 3.2 t -61.49 -42.94 99.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -24.16 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.839 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.6 mm-40 -65.46 167.07 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.886 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -102.29 -35.3 8.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.863 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -173.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.841 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -131.7 112.58 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.01 25.02 4.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 61.25 112.469 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 135.58 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.51 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.853 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.8 p90 -111.1 149.47 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.876 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.1 tt -156.95 114.66 3.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.945 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.428 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 63.9 mt -90.43 119.78 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.05 111.178 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -110.8 152.2 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -105.46 129.1 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.03 110.913 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -63.29 138.91 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.884 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.16 -37.85 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.869 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 p -85.69 -11.21 54.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.798 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -128.49 94.82 34.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 74.1 111.127 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.8 Cg_endo -69.76 135.82 31.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 74.12 112.332 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.87 18.58 67.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 53.1 112.522 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.61 122.94 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 70.42 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.419 ' CD1' HD11 ' A' ' 128' ' ' LEU . 52.9 m-85 -109.19 137.39 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.844 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -139.92 128.87 23.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 61.44 110.841 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -92.07 137.77 32.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.783 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -125.59 110.86 14.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.856 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -109.03 144.44 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.113 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CD ' ' HA ' ' A' ' 75' ' ' SER . 6.1 ttpm? -96.41 129.93 43.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.925 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 26.2 m-85 -126.39 92.36 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.908 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 32.32 112.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.14 15.0 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 71.35 110.896 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.76 124.87 20.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.883 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.99 121.27 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 55.11 111.142 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.36 173.65 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.25 163.81 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.876 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.87 118.29 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.916 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.22 110.895 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.72 125.6 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 111' ' ' LEU . 1.9 mm? -89.52 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 145.89 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.877 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.25 -175.64 3.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.871 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.09 38.44 3.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 62.02 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.2 -44.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 71.43 111.09 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.75 30.3 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -117.44 151.98 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 64.23 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.67 150.18 47.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 2.5 p90 -171.27 -177.59 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.879 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -124.89 -96.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.908 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.43 1.76 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.911 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.82 -72.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 125' ' ' PHE . 12.5 p -81.12 152.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -157.85 147.76 20.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.922 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.574 ' HB2' HD12 ' A' ' 131' ' ' LEU . 48.2 m-85 -153.46 179.38 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.932 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.501 ' CG ' ' N ' ' A' ' 127' ' ' SER . 2.7 p30 -85.29 -52.38 5.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 126' ' ' ASN . 83.0 p -91.64 171.21 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.857 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 95' ' ' PHE . 13.0 mt -83.25 -43.63 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 70.13 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -49.47 -40.76 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 1.6 mt-10 -62.87 -33.16 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.13 110.838 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 125' ' ' PHE . 3.6 mp -69.61 -62.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.4 m -49.97 -28.57 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -57.71 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.876 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.601 ' HB3' HD11 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -73.84 -38.7 64.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.838 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.411 ' CB ' ' HB2' ' A' ' 148' ' ' LEU . 36.3 ptt85 -75.98 -18.43 59.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.88 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.46 -15.13 19.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 33.42 110.876 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.44 152.27 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 73.15 111.101 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.5 p -40.36 159.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 51.5 t -139.38 -42.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.127 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.86 134.2 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.869 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -85.52 22.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -53.33 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 52.2 110.907 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.43 -169.67 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.54 96.54 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.78 150.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.149 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -113.29 165.98 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 135' ' ' HIS . 42.3 mt -81.75 109.71 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.1 110.935 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -76.85 134.1 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.4 104.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 84' ' ' LEU . 1.4 tt -61.69 145.34 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.119 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -103.5 107.13 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.943 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.512 ' HB3' HG22 ' A' ' 151' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 75.43 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.8 t80 -91.2 140.68 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.857 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 11.8 m-85 -131.09 136.66 48.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.893 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.52 -148.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 14.42 112.492 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.96 92.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 73.22 110.901 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.88 130.25 18.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 73.55 111.166 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.56 67.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 74.35 112.345 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -36.95 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.79 49.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.101 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -47.7 -45.22 28.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 61.45 110.912 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.094 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.611 ' HG2' HG11 ' A' ' 105' ' ' VAL . 68.0 mt-10 -52.65 -34.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -73.14 -34.32 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 151' ' ' ILE . 34.1 mmt -70.01 -30.57 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.88 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD11 ' OG ' ' A' ' 98' ' ' SER . 7.8 mt -87.29 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -60.77 -49.89 75.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.8 ptpt -49.66 -31.14 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.92 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' NE2' HG12 ' A' ' 151' ' ' ILE . 75.3 mm-40 -59.64 172.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.88 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -117.78 -28.45 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.11 110.888 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -179.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.877 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.34 112.34 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.37 21.3 4.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.462 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -61.17 131.67 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 73.25 111.084 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.945 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.26 150.65 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.877 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -151.1 116.85 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.4 mt -91.45 130.73 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 54.44 111.118 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -121.44 151.75 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 88' ' ' SER . 31.2 tt0 -109.82 151.73 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.879 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.643 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.5 m -66.79 176.18 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.842 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.14 -37.62 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.96 -1.76 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.51 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -108.62 85.87 3.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.11 111.122 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.703 2.269 . . . . 74.51 112.34 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.38 -14.62 27.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 34.23 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.91 132.71 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 71.2 110.883 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD1' HD11 ' A' ' 128' ' ' LEU . 77.8 m-85 -128.41 143.57 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 120.37 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.9 tm? -89.67 133.33 34.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.597 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -119.65 111.48 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.615 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.32 152.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.14 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -104.24 131.45 51.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 63.53 110.927 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 31.1 m-85 -129.2 91.26 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.41 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.41 -113.72 5.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 53.44 112.515 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -106.88 25.11 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 73.34 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.58 121.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 62.55 110.811 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG11 ' HG2' ' A' ' 71' ' ' GLU . 74.5 t -90.24 109.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.124 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -95.35 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.462 ' C ' ' CD1' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -150.17 170.17 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.25 110.823 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 107' ' ' HIS . 14.6 m-85 -144.42 123.35 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.5 110.891 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 108.51 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.36 130.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.113 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.0 mm? -98.94 143.3 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.953 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -139.85 134.95 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.881 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.74 173.99 12.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.18 -68.61 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 72.43 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -161.29 -53.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 72.34 111.057 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.77 32.66 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 53.41 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 127.8 45.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 75.21 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.71 ' HB2' HD13 ' A' ' 131' ' ' LEU . 6.7 m-85 -95.9 150.47 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.922 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 1.7 p90 -164.49 151.25 11.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 41.52 110.858 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.39 -81.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 74.03 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.593 ' C ' HG23 ' A' ' 122' ' ' VAL . 68.3 m95 -96.03 66.86 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 121' ' ' TRP . 3.1 t 79.66 -43.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.52 111.164 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 134' ' ' TYR . 1.4 p -63.45 136.38 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 54.34 111.134 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.5 ptmt -139.63 155.64 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -150.9 176.4 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.05 110.881 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.57 -39.63 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 44.13 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.1 172.65 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' A' ' 95' ' ' PHE . 8.7 mt -79.82 -54.94 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.33 -36.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.893 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.45 -45.06 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.14 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -65.63 -35.72 81.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.31 110.933 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.587 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 53.4 t -64.92 -49.36 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.51 111.12 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.65 -56.34 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 43.54 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.48 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.7 t80 -48.48 -48.58 37.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.942 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.579 ' HA ' HG22 ' A' ' 138' ' ' THR . 42.6 m-70 -66.9 -24.95 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.807 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -24.9 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -96.03 -23.96 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.865 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 135' ' ' HIS . 11.1 t -108.34 154.22 22.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 54.32 111.163 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.6 p -42.0 159.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.853 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 141' ' ' SER . 17.1 m -125.74 -46.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 55.53 111.118 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -94.56 144.01 25.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.848 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.66 29.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.66 -48.3 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.54 110.849 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.76 -171.95 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.928 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.67 99.79 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.951 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 147' ' ' PHE . 90.7 mt -134.33 158.94 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 71.41 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.53 ' N ' HG22 ' A' ' 146' ' ' ILE . 28.3 m-85 -117.09 156.61 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.9 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -78.28 111.59 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.926 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.67 140.37 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.31 110.858 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.26 115.98 16.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.864 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 74' ' ' LEU . 6.4 tt -64.77 151.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.15 111.087 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.81 81.19 8.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.849 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.79 0.329 . . . . 75.33 110.937 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.32 139.82 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 19.1 m-85 -129.06 132.17 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.22 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -92.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 74.03 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' HB3' ' A' ' 87' ' ' GLU . 2.2 mmtp -123.79 110.23 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 71.53 110.885 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -137.32 135.43 19.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 73.21 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.0 Cg_endo -69.75 144.71 54.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 55.53 112.366 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.0 mmm-85 -33.55 -46.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.83 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -48.13 -52.76 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -53.32 -55.16 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.081 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.51 -32.67 28.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 55.51 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.94 -42.62 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.49 -37.23 75.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 64.35 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 82' ' ' ALA . 11.3 mt -83.03 -40.42 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 72.01 110.928 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -60.85 -50.98 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 5.7 ptpt -48.68 -32.77 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 75.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 57.1 mm-40 -55.18 167.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.931 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -166.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.852 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -130.57 114.98 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.55 25.71 3.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 64.51 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.08 114.44 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 74.51 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.822 ' HB2' HD21 ' A' ' 97' ' ' LEU . 11.4 p90 -104.4 138.36 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.92 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.926 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -147.84 115.23 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.23 110.898 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.6 mt -90.62 118.6 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.117 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -112.09 162.52 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.864 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 64' ' ' LYS . 15.1 tt0 -105.14 142.84 34.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.892 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.07 150.0 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.864 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.92 -39.43 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.849 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -87.65 -7.61 57.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.91 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.13 81.59 50.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 63.41 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.82 24.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 75.5 112.327 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.72 57.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.51 112.489 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 171.73 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.342 . . . . 73.42 110.833 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -143.99 139.19 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p -137.83 123.14 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -88.13 132.74 34.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.93 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.558 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.1 m -120.05 110.38 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 54.24 110.842 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -111.71 144.81 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 55.34 111.122 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -98.22 136.59 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.5 m-85 -135.29 93.93 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.41 -100.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 54.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.89 26.69 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.12 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -143.53 114.37 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.5 110.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 70.44 111.104 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -102.23 173.74 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.957 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.76 165.81 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 60.35 110.834 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 120' ' ' LEU . 6.7 m-85 -130.81 135.01 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.914 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -80.26 118.14 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.931 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.5 129.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.42 111.106 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.23 152.76 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.891 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.509 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 12.4 mtp-105 -141.38 144.13 34.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -179.15 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.9 26.24 6.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 64.34 112.486 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.04 -40.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 71.24 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.08 37.76 0.24 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 61.13 112.5 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER -115.08 125.12 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.738 0.304 . . . . 72.11 110.924 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 79.7 m-85 -90.44 148.53 22.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.901 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.56 142.16 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.4 110.857 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' A' ' 121' ' ' TRP . 6.5 tp -109.28 -70.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.941 ' CD1' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -179.44 -29.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.925 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 121' ' ' TRP . 12.4 m -108.4 -11.65 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 71.44 111.119 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 134' ' ' TYR . 2.6 p -155.62 150.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.143 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 150.02 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.925 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -152.78 175.3 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.8 -33.93 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 m -125.47 171.34 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.469 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 12.1 mt -73.72 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.426 ' HA ' ' CG2' ' A' ' 132' ' ' VAL . 7.0 p30 -37.76 -34.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.879 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.57 -45.27 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -51.3 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.919 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 129' ' ' ASN . 11.0 m -53.78 -41.25 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 55.24 111.132 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.5 OUTLIER -61.78 -65.68 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.86 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 123' ' ' VAL . 59.5 t80 -43.88 -49.25 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.962 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 0.3 OUTLIER -66.57 -26.61 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.897 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -72.49 -23.52 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.54 110.889 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.7 p -102.91 -16.69 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 51.31 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 86.2 m -125.44 140.16 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 61.21 111.171 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.1 p -41.74 161.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.874 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 135' ' ' HIS . 47.6 t -141.95 -36.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.53 134.5 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.894 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.4 mtm105 -89.76 31.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -124.89 -56.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -123.77 -165.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.932 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -119.59 83.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.976 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 147' ' ' PHE . 3.6 mt -127.88 157.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.431 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.4 m-85 -113.55 158.36 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.32 110.871 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 63.3 mt -73.08 108.95 6.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.939 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -83.31 139.45 33.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.33 105.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.824 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.4 tt -58.8 146.31 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.107 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -86.94 78.12 9.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.857 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 74.42 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -89.98 144.11 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.54 110.864 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 3.8 m-85 -133.2 135.13 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 74.34 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.78 -98.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 74.14 112.501 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' ' CA ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -123.43 108.29 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 53.14 110.87 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -139.86 140.43 24.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 74.22 111.16 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.88 55.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 51.33 112.335 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.0 ptp180 -38.62 -36.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -60.56 -57.94 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.11 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -47.39 -42.41 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 63.34 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -60.27 -51.11 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.55 111.094 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.11 -34.46 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -71.88 -47.48 52.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.01 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.0 mmt -53.24 -32.22 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.1 mt -88.02 -45.45 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.923 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -53.37 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 52.2 110.893 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.64 -21.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.44 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.3 mm-40 -68.96 -177.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 71.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.09 -35.68 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -178.48 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.16 114.88 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.903 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 149' ' ' ARG . . . 116.59 19.06 5.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 64.11 112.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.628 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -58.78 115.55 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.15 111.077 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.775 ' HB2' HD11 ' A' ' 97' ' ' LEU . 42.9 p90 -104.43 149.56 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.884 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -156.14 123.8 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.902 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.98 136.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.2 111.144 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 155.66 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 88' ' ' SER . 9.3 tt0 -124.08 151.62 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.898 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 4.5 m -71.15 175.46 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.861 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' CA ' ' HG2' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -104.01 -45.27 4.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.47 -8.2 23.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.876 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.434 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -111.43 92.44 16.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 73.44 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.25 27.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 74.43 112.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.43 -16.87 60.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -70.15 125.28 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 72.4 110.87 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CG ' HD11 ' A' ' 128' ' ' LEU . 28.3 m-85 -138.85 141.87 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 m -147.06 131.04 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 72.4 110.89 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.0 tp -88.06 154.87 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 55.33 110.946 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 76.5 p -141.69 107.49 5.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 60.01 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -107.17 145.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 73.55 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -93.72 122.66 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 54.01 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 99' ' ' VAL . 29.7 m-85 -123.68 96.09 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.897 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.13 -129.05 37.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 64.3 112.496 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.47 23.92 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 74.44 110.864 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.99 144.39 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.28 118.26 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.24 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -103.44 173.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -153.07 170.3 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.883 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CD2' HD23 ' A' ' 97' ' ' LEU . 23.9 m-85 -141.13 118.59 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 111.25 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 75.03 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.25 140.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.138 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.8 mm? -99.15 152.52 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.927 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -128.17 145.51 51.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.841 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -95.85 173.77 7.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.07 28.9 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 64.05 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.96 -38.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 53.12 111.112 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.69 33.86 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 41.55 112.511 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 150.23 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 74.22 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 131' ' ' LEU . 63.5 m-85 -114.67 140.3 48.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -152.43 173.06 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.841 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.29 -86.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 63.51 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -86.95 -75.29 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 122' ' ' VAL . 8.5 p -134.31 5.34 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.01 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.41 140.42 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.145 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 160.49 37.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.53 110.919 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.428 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 73.1 m-85 -156.38 -176.82 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 73.34 110.874 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -50.25 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.55 178.91 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 45.33 110.883 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 95' ' ' PHE . 69.6 mt -81.36 -32.84 32.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 61.03 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -41.0 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 55.2 110.846 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 2.5 mm-40 -62.0 -33.04 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -69.79 -63.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 71.35 110.928 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 25.6 m -47.05 -31.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 54.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -59.49 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 4.5 t80 -46.97 -38.98 11.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.947 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.632 ' NE2' HG23 ' A' ' 140' ' ' VAL . 1.2 m-70 -80.55 -24.0 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 71.55 110.829 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.21 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -96.33 -28.55 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.836 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.2 m -118.74 143.21 47.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.158 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -40.82 160.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 45.11 110.876 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.632 HG23 ' NE2' ' A' ' 135' ' ' HIS . 5.8 p -139.42 -35.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 75.44 111.136 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.62 135.5 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.859 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.48 33.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 62.34 110.852 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.29 -54.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 53.55 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.91 -178.31 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 61.5 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 145' ' ' GLN . 9.6 pt20 -101.54 84.44 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.943 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 147' ' ' PHE . 48.5 mt -130.45 154.69 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.45 111.153 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.8 m-85 -114.05 -177.18 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.91 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 140' ' ' VAL . 8.9 mt -90.01 108.96 20.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.939 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.7 mpt_? -81.03 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.16 106.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.893 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.9 tt -69.62 150.44 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.138 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -96.07 105.43 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 65.04 110.892 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.463 ' CG ' ' CE1' ' A' ' 83' ' ' PHE . 1.9 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 75.05 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -110.32 145.43 37.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 64.52 110.885 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 84' ' ' LEU . 13.9 m-85 -129.17 136.97 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.897 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.25 123.68 7.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 52.45 112.432 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 41.95 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.301 . . . . 72.52 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -150.37 134.87 9.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 60.43 111.136 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.72 58.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 62.14 112.349 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -44.73 -31.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.875 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.64 -52.6 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 61.2 111.113 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -54.53 -48.99 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -51.66 -57.14 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.12 111.107 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.14 -38.14 50.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.953 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.85 -41.57 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 36.7 mmt -60.77 -35.1 75.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.844 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.6 mt -80.22 -55.47 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.885 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -52.35 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 52.33 110.855 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 73' ' ' MET . 0.6 OUTLIER -46.25 -32.23 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' NE2' HG12 ' A' ' 151' ' ' ILE . 60.3 mm-40 -59.0 170.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 51.51 110.882 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -107.62 -31.61 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 61.53 110.85 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -129.47 122.77 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 61.31 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.98 21.74 7.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.494 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.75 127.34 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.01 ' HB2' HD21 ' A' ' 97' ' ' LEU . 28.0 p90 -106.9 148.39 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.878 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.5 tt -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.929 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' PHE . 43.4 mt -92.43 123.6 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.143 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -115.22 147.32 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.88 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -94.78 132.99 38.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.687 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -60.06 142.16 54.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 53.43 110.892 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.76 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.91 9.63 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 60.1 110.872 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -141.4 82.74 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 63.41 111.121 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 115.76 4.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 62.32 112.359 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.91 -14.49 12.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.489 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 125.62 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 72.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 128' ' ' LEU . 2.3 m-85 -105.28 147.37 28.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.16 119.84 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 55.03 110.857 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.01 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.3 tm? -88.98 137.11 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.799 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -124.73 109.81 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.84 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -106.44 137.3 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 72.44 111.195 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -86.67 127.94 34.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.544 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.2 m-85 -131.41 105.34 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 52.98 -116.31 5.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 65.45 112.496 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -103.2 19.7 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 53.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.12 126.34 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.851 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.98 112.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.18 173.62 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.33 164.69 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.902 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.27 126.16 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 116.82 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.03 110.878 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.057 HG22 HD11 ' A' ' 120' ' ' LEU . 87.8 t -90.73 137.89 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 53.15 111.1 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.8 mp -118.21 145.93 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 54.22 110.893 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -137.18 149.45 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.908 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -153.25 170.45 20.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.38 -70.67 2.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 55.43 112.47 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.6 -60.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.5 111.119 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.8 38.24 1.29 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.472 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -103.98 116.41 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 64.01 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 7.0 m-85 -97.36 158.1 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.876 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -166.39 155.26 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 64.03 110.89 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 1.057 HD11 HG22 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -148.4 -76.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 65.12 110.923 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.506 ' O ' ' C ' ' A' ' 122' ' ' VAL . 97.0 m95 -96.92 98.43 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.928 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 122' ' ' VAL . 3.4 m 28.9 41.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.161 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.642 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 9.7 p -154.07 152.19 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.118 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.575 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -131.79 170.82 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.913 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.713 ' CD1' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -156.56 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.904 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.81 -34.09 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 131' ' ' LEU . 75.4 p -132.17 169.31 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.45 110.89 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.883 HD11 ' CD2' ' A' ' 95' ' ' PHE . 13.3 mt -79.37 -44.71 20.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -36.57 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.75 -25.63 65.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.906 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -78.48 -56.52 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.933 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.6 m -54.85 -35.91 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 44.43 111.139 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -66.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -48.97 -31.62 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.911 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.425 ' HA ' HG22 ' A' ' 138' ' ' THR . 15.3 m80 -77.82 -27.89 50.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.826 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -73.71 -24.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.5 110.912 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 89.5 p -94.64 -26.69 16.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 52.53 110.84 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 135' ' ' HIS . 1.2 t -111.21 153.55 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.135 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -45.54 159.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.882 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 146' ' ' ILE . 16.6 m -140.4 -35.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 63.24 111.083 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 2.3 p -85.91 153.88 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.85 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.92 9.36 43.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.3 -38.99 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.55 110.897 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -134.21 -174.26 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -107.35 58.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 140' ' ' VAL . 56.4 mt -93.16 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.104 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.542 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.6 m-85 -121.63 170.25 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.869 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 83' ' ' PHE . 41.3 mt -81.96 108.85 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 60.35 110.947 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -78.7 137.63 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 53.12 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.02 115.18 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.838 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.448 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.57 130.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.15 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.23 94.24 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.903 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' N ' ' OE1' ' A' ' 153' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.838 0.351 . . . . 75.31 110.919 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.4 t80 -106.53 148.57 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.902 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 7.2 m-85 -133.26 140.46 47.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.869 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.03 127.38 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.506 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 44.72 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 72.43 110.927 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.78 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.7 pp -139.96 124.59 11.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.12 111.18 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.2 Cg_endo -69.81 143.69 51.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 74.21 112.314 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.4 mmm-85 -33.12 -46.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -53.11 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 54.34 111.126 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.7 tptt -50.99 -53.07 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 65' ' ' ILE . . . -57.29 -52.13 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 44.03 111.107 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -54.87 -32.26 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -74.61 -47.32 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.869 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.498 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 29.7 mmt -55.44 -36.13 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 65.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.5 -51.5 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 65.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -52.59 -38.64 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 74.24 110.848 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.2 ptpt -62.58 -28.9 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 70.42 110.913 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 73' ' ' MET . 37.7 mm-40 -60.73 168.44 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.11 110.968 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.4 -32.42 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.844 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -172.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.876 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -128.02 111.55 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 60.32 110.86 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.97 23.31 3.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 32.23 112.463 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.05 126.55 28.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 74.24 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.881 ' HB2' HD11 ' A' ' 97' ' ' LEU . 34.5 p90 -112.5 148.22 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.855 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.9 tt -154.5 120.29 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 60.43 110.929 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.36 128.29 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 51.14 111.108 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.684 ' CD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.86 163.48 16.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.89 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -107.78 132.29 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -61.38 129.95 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.841 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 64' ' ' LYS . 6.8 pt-20 -70.18 -39.44 75.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.907 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 p -88.62 -10.33 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.1 93.27 30.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 55.33 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 125.38 12.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 73.14 112.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.22 30.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 53.53 112.495 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.83 122.44 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 73.01 110.87 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CG ' HD11 ' A' ' 128' ' ' LEU . 34.3 m-85 -102.47 141.37 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.0 p -142.35 120.89 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 70.22 110.889 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.2 tp -87.9 150.46 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 63.22 110.928 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.1 t -139.97 105.99 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.836 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.589 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -98.94 149.58 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.42 111.139 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -93.69 133.08 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.675 ' CE1' HD13 ' A' ' 146' ' ' ILE . 14.8 m-85 -134.08 94.35 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.18 -105.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 32.32 112.47 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 26.44 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 71.15 110.92 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -145.03 121.25 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.85 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.18 106.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.161 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -93.85 173.74 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.94 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -156.02 165.46 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.894 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -131.89 129.45 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.836 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -76.51 112.84 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 73.25 110.877 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 120' ' ' LEU . 76.3 t -82.5 130.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.131 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.84 146.43 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.899 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -146.1 159.01 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.858 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -97.61 -176.2 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.11 34.73 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 71.32 112.459 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -130.25 -45.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 50.54 111.083 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.14 30.6 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 31.31 112.473 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.75 135.0 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 44.51 110.871 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 52.0 m-85 -101.22 159.53 15.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -171.25 151.75 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.902 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 1.052 HD13 HD21 ' A' ' 131' ' ' LEU . 5.6 mp -150.25 -79.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 62.42 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' VAL . 69.9 m95 -88.99 90.13 8.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.919 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' TRP . 21.9 m 34.03 33.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 73.52 111.126 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 121' ' ' TRP . 8.1 p -137.26 147.9 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.098 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.22 162.57 25.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.864 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 130' ' ' GLU . 3.1 m-85 -156.23 179.27 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 60.22 110.905 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -94.49 -34.05 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.929 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.28 -176.37 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.53 110.861 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.584 HD11 ' CG ' ' A' ' 95' ' ' PHE . 89.8 mt -74.7 -44.68 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.858 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -47.65 -48.63 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.899 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 125' ' ' PHE . 1.3 mm-40 -61.25 -23.27 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.858 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.052 HD21 HD13 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -79.1 -58.24 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.907 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 70.33 111.118 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.0 -59.64 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.899 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 1.1 t80 -42.29 -40.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.927 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.678 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -73.84 -38.28 64.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 50.23 110.87 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -56.5 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 72.32 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.95 -34.25 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.864 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.4 m -129.97 136.24 49.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 72.13 111.098 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 145' ' ' GLN . 60.6 p -67.79 158.96 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 51.34 110.86 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.591 HG22 ' NE2' ' A' ' 135' ' ' HIS . 6.2 m -131.93 -6.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.153 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.3 151.2 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 65.33 110.891 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -92.42 -3.21 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -90.82 -53.57 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 177.17 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.942 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 139' ' ' SER . 19.0 pt20 -105.91 52.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.903 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.675 HD13 ' CE1' ' A' ' 101' ' ' PHE . 4.5 mt -78.33 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.131 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.8 m-85 -118.29 152.27 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 54.13 110.928 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.678 HD21 ' CD2' ' A' ' 135' ' ' HIS . 19.2 mt -69.06 110.41 4.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -86.89 131.47 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 112.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.477 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.1 tt -68.05 147.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 63.52 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.21 87.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.4 ' OE1' ' N ' ' A' ' 60' ' ' TRP . 7.4 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.737 0.304 . . . . 73.54 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.2 t80 -127.62 152.16 48.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.879 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.822 ' CE1' HD12 ' A' ' 84' ' ' LEU . 12.6 m-85 -134.97 134.19 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.893 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.77 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.506 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -101.82 96.03 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.313 . . . . 62.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -136.41 138.93 28.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 62.1 111.123 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.3 64.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 51.24 112.359 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -45.04 -30.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.839 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -64.99 -52.79 54.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -46.17 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 52.11 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -53.03 -55.39 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 53.02 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' A' ' 105' ' ' VAL . 29.8 mt-10 -52.12 -34.3 43.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.35 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.18 -39.34 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.9 mmt -60.91 -35.52 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 82' ' ' ALA . 13.7 mt -83.82 -48.66 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.2 t -51.62 -39.96 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.866 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -63.39 -23.64 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' NE2' HG12 ' A' ' 151' ' ' ILE . 51.5 mm-40 -64.11 177.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -116.06 -37.14 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -170.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.02 110.878 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -132.3 114.17 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.862 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.47 22.75 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 44.23 112.452 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 123.75 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 71.42 111.082 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -104.26 143.27 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.894 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.822 HD12 ' CE1' ' A' ' 62' ' ' PHE . 1.9 tt -155.85 113.86 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.3 mt -94.95 121.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -107.75 149.05 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.915 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -104.4 140.8 37.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.857 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -54.23 152.43 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.04 110.818 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.1 -58.02 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 72.55 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -105.64 21.77 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 54.15 110.862 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.857 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -131.89 79.69 67.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 64.13 111.066 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 73.44 112.37 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.23 -15.68 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.463 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -90.08 130.33 36.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 71.14 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 128' ' ' LEU . 69.1 m-85 -117.31 136.23 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.866 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -135.8 121.22 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 53.42 110.864 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 83' ' ' PHE . 28.6 tp -90.19 149.74 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -137.24 107.4 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.524 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.12 130.94 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.21 111.114 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -80.08 136.14 36.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 70.35 110.867 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 11.9 m-85 -132.8 100.44 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.899 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.17 -107.52 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 53.11 112.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.93 16.66 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.55 110.907 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -138.55 126.7 22.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 65.03 110.836 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 71' ' ' GLU . 46.9 t -83.31 131.85 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 63.22 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -115.64 173.28 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.932 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 159.64 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.03 110.846 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.75 131.35 46.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.896 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 112.4 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.34 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.4 t -86.42 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 64.45 111.181 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.31 147.99 32.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.44 110.852 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 130.89 46.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.03 110.871 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.33 172.89 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.8 -65.3 2.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 60.22 112.506 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 65.34 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.31 23.81 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 65.22 112.477 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -90.86 129.38 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 75.25 110.868 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 m-85 -101.45 135.58 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.876 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -144.01 170.13 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.885 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.48 -91.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.03 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -83.42 -70.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.929 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.83 2.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 53.15 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -105.84 143.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 158.59 43.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.951 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.512 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 52.5 m-85 -153.06 -177.24 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -95.68 -44.32 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 76.6 p -114.42 164.52 13.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.864 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' A' ' 95' ' ' PHE . 40.6 mt -71.96 -31.52 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.919 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -38.74 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.835 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 25.4 mm-40 -59.59 -23.74 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 55.15 110.93 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 118' ' ' TYR . 3.0 mp -85.27 -54.36 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 23.1 t -47.85 -40.81 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.17 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.28 -53.83 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 70.12 110.831 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -39.92 -40.51 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.953 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.472 ' CB ' HD13 ' A' ' 148' ' ' LEU . 8.9 m80 -82.86 -36.63 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 72.04 110.86 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -53.26 -21.58 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 61.53 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.4 -23.02 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 40.44 110.889 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.9 m -108.4 140.21 42.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 44.33 111.127 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.8 p -39.5 159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.7 t -132.59 -39.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 71.13 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 137.43 32.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 42.43 110.881 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 0.1 OUTLIER -85.29 -6.94 59.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 64.24 110.914 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.03 -44.06 7.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.23 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -131.66 179.01 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.43 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.13 99.82 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 147' ' ' PHE . 57.4 mt -127.45 153.28 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.34 111.12 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.0 m-85 -114.62 145.35 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.914 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 135' ' ' HIS . 0.2 OUTLIER -66.16 109.16 2.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -88.59 140.0 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.22 110.875 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.54 111.52 6.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.895 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -58.56 144.04 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.147 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.15 79.75 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.455 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 64.12 110.944 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.2 t80 -127.91 152.97 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.554 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 11.9 m-85 -139.37 143.4 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 61.22 110.846 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.05 116.38 5.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 35.24 112.485 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.84 96.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 71.1 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pp -147.36 130.87 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 74.3 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 145.1 56.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 62.3 112.372 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -33.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 65.21 110.911 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.16 67.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 71.04 111.112 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.89 67.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -52.1 -50.64 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.105 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.6 -35.62 61.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.09 -43.47 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.23 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.6 mmt -59.69 -32.6 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.59 -51.41 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.22 110.925 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -50.53 -41.71 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.822 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 2.6 ptpt -59.42 -31.11 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.867 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 50.2 mm-40 -56.78 171.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.25 110.91 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -106.9 -36.65 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.478 ' HB3' ' NE ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -69.31 179.39 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 112.03 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.86 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.7 24.65 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 75.02 112.44 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 132.65 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 53.23 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 4.7 p90 -103.95 146.65 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.882 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -153.67 115.66 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.1 mt -99.54 124.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.142 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.431 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -113.08 148.08 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.867 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -105.92 154.85 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.909 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.811 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -70.99 158.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.858 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 -63.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 62.02 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -109.97 39.83 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.861 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.811 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -140.34 84.54 14.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 71.45 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.65 2.14 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 63.4 112.33 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.4 -24.4 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 64.21 112.511 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -73.96 119.58 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 72.22 110.87 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 128' ' ' LEU . 60.4 m-85 -119.59 137.04 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.917 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t -135.79 120.1 17.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.852 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 98' ' ' SER . 5.0 tp -88.01 149.27 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.463 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 t -139.02 105.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 148' ' ' LEU . 1.2 t -106.45 139.57 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -87.08 140.9 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.3 m-85 -136.28 101.01 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.87 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 54.7 -98.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -121.11 28.47 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 70.11 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.09 121.82 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 60.35 110.865 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.29 113.56 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.179 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -103.15 173.62 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.63 166.28 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.867 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.19 119.18 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.875 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 104.38 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.88 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 t -64.88 119.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 51.11 111.134 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -84.25 116.98 23.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.921 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.25 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.863 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.31 -179.91 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.842 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.77 35.45 2.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 55.31 112.478 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.58 -45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 70.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.79 33.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 43.25 112.453 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -116.44 154.13 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 73.21 110.888 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.415 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 62.3 m-85 -127.82 153.32 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.912 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 1.3 p90 -169.08 170.43 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 73.54 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.51 ' HB3' ' NE1' ' A' ' 121' ' ' TRP . 3.4 mt -122.7 -58.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 75.31 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -164.62 -33.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.93 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.1 32.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.25 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.8 138.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 65.15 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -138.74 149.38 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.5 m-85 -151.77 -179.88 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.852 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -38.1 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 65.54 110.927 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.29 159.96 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.889 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 95' ' ' PHE . 7.7 mt -65.54 -36.04 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.926 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -49.04 -43.47 40.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.533 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 1.8 mp0 -54.3 -28.19 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 63.11 110.855 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.3 mp -82.56 -44.62 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 78.6 t -59.15 -39.13 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 136' ' ' ARG . 34.1 t70 -76.49 -63.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -41.27 -40.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.606 ' CB ' HD11 ' A' ' 148' ' ' LEU . 22.0 m80 -78.31 -31.46 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.1 ttp85 -57.13 -29.83 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.11 110.893 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.8 p -103.19 -33.59 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 65.22 110.871 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' HIS . 46.2 m -104.07 137.6 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.106 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.8 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 60.5 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 148' ' ' LEU . 7.2 p -131.17 -6.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.141 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.2 p -110.27 146.0 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.903 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.0 28.18 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.809 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.99 -49.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 63.23 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -126.17 -178.58 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.51 94.01 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 mt -134.7 146.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 71.52 111.192 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.45 165.47 12.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.606 HD11 ' CB ' ' A' ' 135' ' ' HIS . 17.3 mt -78.7 108.32 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 10.9 mmt180 -77.47 138.89 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.8 tt -74.56 148.67 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.143 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.12 101.66 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 64.02 110.917 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.931 ' CZ2' HG21 ' A' ' 132' ' ' VAL . 1.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 75.44 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -126.42 151.99 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 71.4 110.822 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 15.1 m-85 -131.82 143.81 50.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.14 99.94 2.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 71.22 112.499 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 52.09 104.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 72.12 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.782 HD11 HD21 ' A' ' 84' ' ' LEU . 2.2 pt -146.61 136.71 12.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 53.13 111.117 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 69' ' ' LYS . 53.8 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 75.54 112.36 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.88 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -49.74 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 62.21 111.134 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -59.75 -48.06 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.928 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.19 -56.29 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.2 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.77 -34.7 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.873 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.29 -42.44 65.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.845 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -60.35 -29.27 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 82' ' ' ALA . 19.2 mt -86.16 -55.58 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.15 110.953 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -41.81 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -19.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 58.1 mm-40 -75.15 170.28 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.24 110.93 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -109.17 -28.81 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.94 -169.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 54.4 110.876 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.53 116.1 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.833 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.74 23.76 5.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.6 129.15 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 75.04 111.113 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.79 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -108.97 145.33 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.899 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.782 HD21 HD11 ' A' ' 65' ' ' ILE . 3.5 tt -149.89 113.61 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.618 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.3 mt -89.76 123.37 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.24 111.097 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 142.33 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 60.12 110.868 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -102.59 156.74 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.867 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 m -91.46 160.91 15.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.32 110.845 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -49.93 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 4.23 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 61.32 110.876 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.38 88.82 8.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 75.23 111.055 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 111.42 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 53.21 112.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.21 -15.35 9.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.93 121.75 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 74.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 128' ' ' LEU . 59.4 m-85 -117.38 143.71 45.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -142.64 122.96 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.1 tm? -94.59 135.51 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 64.33 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.788 ' N ' HD13 ' A' ' 97' ' ' LEU . 17.6 m -121.9 110.57 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.835 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.583 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.37 138.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 61.34 111.168 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -89.09 139.22 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 17.4 m-85 -137.94 92.42 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 54.21 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.67 -98.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 52.13 112.47 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -120.67 21.66 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 71.52 110.922 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -141.77 121.83 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.88 102.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 44.11 111.115 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -84.83 173.81 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.924 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 169.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.87 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.48 124.46 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.874 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 114.74 16.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.27 134.34 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.134 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.5 mm? -105.17 137.95 42.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.973 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 124.67 25.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.43 110.864 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.81 175.28 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.52 -61.59 2.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.447 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -177.91 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 63.22 111.119 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.12 17.68 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 73.13 112.491 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 124.14 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 65.13 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.522 ' HB2' HD11 ' A' ' 131' ' ' LEU . 77.3 m-85 -96.1 154.58 17.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 2.8 p90 -171.02 156.99 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.837 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 131' ' ' LEU . 4.4 mp -123.87 -94.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.919 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -76.43 -72.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 -33.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 70.04 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 125' ' ' PHE . 9.9 p -74.2 145.7 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.13 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 125' ' ' PHE . 7.6 pttt -138.7 167.31 22.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.917 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 5.5 m-85 -156.41 -176.58 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.885 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -92.01 -56.72 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.432 ' HB2' ' ND2' ' A' ' 129' ' ' ASN . 15.1 m -103.01 177.31 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' A' ' 131' ' ' LEU . 61.7 mt -81.34 -27.07 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 127' ' ' SER . 15.3 p30 -61.84 -25.64 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.27 -26.09 60.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 62.55 110.866 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -80.86 -46.63 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.879 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.931 HG21 ' CZ2' ' A' ' 60' ' ' TRP . 7.2 t -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.31 111.109 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -57.98 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.22 -60.22 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 55.42 110.951 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -57.66 -26.58 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.879 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.92 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.855 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.6 p -96.95 -20.39 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 42.33 110.827 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -119.74 153.02 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.159 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.8 p -39.96 160.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 135' ' ' HIS . 35.4 m -138.35 -43.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.181 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -85.28 138.02 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.874 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -87.78 31.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.88 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -52.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.859 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.17 -165.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 62.43 110.941 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.93 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 147' ' ' PHE . 28.0 mt -130.61 157.85 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 65.41 111.157 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 146' ' ' ILE . 21.8 m-85 -121.72 169.65 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 135' ' ' HIS . 22.4 mt -81.97 108.77 15.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 63.42 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.99 128.89 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -57.14 103.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.2 tt -60.64 151.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.138 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 87.07 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.886 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.599 ' HB3' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 74.42 110.918 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 1.4 t80 -94.05 150.68 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD1' HD11 ' A' ' 84' ' ' LEU . 4.7 m-85 -132.3 145.21 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -96.82 119.32 6.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 43.12 112.508 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.5 mtmt 36.14 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 32.24 110.866 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.546 HD11 HD21 ' A' ' 84' ' ' LEU . 1.9 pt -136.99 135.15 19.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 63.23 111.104 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.1 Cg_endo -69.75 142.41 47.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 43.53 112.347 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.1 mtp180 -34.05 -46.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -51.97 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -49.59 64.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 42.45 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.54 43.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.075 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CB ' HG21 ' A' ' 105' ' ' VAL . 45.7 mt-10 -53.6 -30.97 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 60.11 110.921 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.14 -45.67 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 63.12 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 31.0 mmt -55.9 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.31 -41.1 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -57.59 -47.64 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.802 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -56.39 -26.37 52.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 62.4 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' NE2' HG12 ' A' ' 151' ' ' ILE . 44.9 mm-40 -60.46 163.6 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.871 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -104.49 -30.51 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -176.06 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.912 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.95 108.47 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.835 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.14 21.31 2.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 53.02 112.509 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.52 134.64 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 51.22 111.032 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.885 ' HB2' HD21 ' A' ' 97' ' ' LEU . 16.3 p90 -112.54 142.23 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.0 tt -143.93 120.75 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.938 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.57 118.57 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -106.76 145.78 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.903 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 88' ' ' SER . 5.5 tt0 -100.4 147.9 25.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.915 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.673 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -76.45 168.63 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 44.03 110.844 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -58.25 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 15.83 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.877 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.57 89.22 51.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 51.1 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.86 15.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 63.02 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.38 9.27 73.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 62.2 112.466 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.33 123.94 42.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 74.52 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 19.9 m-85 -121.6 144.03 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.926 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 t -139.24 123.42 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.44 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.885 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -95.3 139.0 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 73.54 110.916 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.849 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -128.75 111.36 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 70.03 110.886 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -108.22 140.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 74.54 111.137 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -88.1 136.68 32.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 54.44 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.6 m-85 -136.4 92.74 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 64.04 110.897 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.74 -108.01 2.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 62.21 112.517 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -110.22 24.82 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 73.34 110.885 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -144.19 135.15 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 53.15 110.864 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 71' ' ' GLU . 61.3 t -101.75 100.22 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -84.91 173.49 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -153.89 168.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.883 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -141.95 120.6 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.89 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 116.68 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.917 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 120' ' ' LEU . 56.1 t -73.61 138.3 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 62.31 111.174 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -104.25 136.03 44.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.937 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -121.64 173.31 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.831 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.55 176.85 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.871 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.96 24.13 5.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.436 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.27 -37.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 74.13 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.85 36.23 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 53.43 112.487 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.35 160.02 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 70.34 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -119.18 153.68 34.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -168.65 160.58 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 71.54 110.864 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -152.88 135.79 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 72.44 110.901 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 67.0 m95 61.8 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -140.46 -48.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.149 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.9 p -47.78 153.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 70.01 111.174 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 8.6 mtmm -142.51 141.44 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 28.6 m-85 -153.4 172.27 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.927 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -94.09 -42.87 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.853 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.9 176.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.3 110.9 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.787 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 78.0 mt -82.65 -39.99 21.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -50.52 -33.71 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.23 110.89 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -69.63 -37.2 76.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 44.25 110.928 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -68.52 -55.78 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.903 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 34.6 m -52.36 -39.38 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.31 111.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -65.41 -62.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -44.82 -44.12 9.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.475 ' CD2' HG22 ' A' ' 140' ' ' VAL . 17.9 m80 -75.56 -22.17 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.836 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' ASP . 32.8 ttt-85 -68.12 -31.0 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.851 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.7 p -97.34 -26.12 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 97.6 m -109.12 134.24 51.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.53 111.132 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.0 p -41.16 162.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 51.43 110.839 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 135' ' ' HIS . 94.0 t -136.02 -35.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 73.1 111.113 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -84.97 135.66 33.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.848 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.49 25.89 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.91 -43.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.868 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 170.27 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.893 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 83.04 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 147' ' ' PHE . 41.2 mt -128.4 157.26 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.494 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.1 m-85 -117.23 172.07 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.866 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 99' ' ' VAL . 71.7 mt -85.11 110.49 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 53.12 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.52 137.27 34.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.01 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 105.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.863 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 60' ' ' TRP . 1.3 tt -60.56 148.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 65.11 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.39 103.53 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.871 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.33 110.946 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 13.9 p-90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.312 . . . . 71.51 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -90.7 145.58 24.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 64.32 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 84' ' ' LEU . 21.9 m-85 -129.94 128.69 42.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.37 -93.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.452 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.26 109.05 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 73.51 110.922 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -146.8 138.74 13.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 74.14 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.65 51.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 74.14 112.372 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -39.42 -36.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.95 -59.03 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 61.05 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -41.94 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.845 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -59.07 -53.05 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.104 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 105' ' ' VAL . 91.6 mt-10 -49.71 -36.55 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.849 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.73 -41.44 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.866 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.3 mmt -62.91 -32.33 73.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.2 110.869 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 84' ' ' LEU . 11.6 mt -82.51 -47.93 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -55.42 -46.75 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.851 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -52.92 -23.11 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.901 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.8 mm-40 -68.27 171.2 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -111.68 -29.32 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -176.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.855 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -127.38 116.32 20.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.47 25.77 3.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 34.55 112.481 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.33 123.6 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 62.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.444 ' HB2' HD11 ' A' ' 97' ' ' LEU . 5.8 p90 -106.88 135.78 47.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.857 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -148.53 120.09 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.53 110.896 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.5 mt -98.1 119.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.145 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -114.34 142.15 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.838 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.49 160.12 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 70.31 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -72.3 147.9 45.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.846 -179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.95 -68.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 55.32 110.898 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -101.29 33.99 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.897 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -143.91 88.85 7.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 65.43 111.089 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 54.1 Cg_endo -69.77 123.91 10.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.282 . . . . 72.31 112.321 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.05 -21.59 31.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 54.12 112.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.35 110.33 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 64.35 110.872 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.9 m-85 -101.64 139.03 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.03 110.929 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.2 p -139.88 119.86 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.04 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 83' ' ' PHE . 40.2 tp -88.9 151.19 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 t -139.94 106.48 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.864 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -104.59 136.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.44 111.124 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 61.42 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.7 m-85 -113.06 93.2 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.921 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.44 -124.11 24.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 73.12 112.447 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -97.52 28.46 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 54.11 110.924 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 125.89 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 60.5 110.87 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 71' ' ' GLU . 95.1 t -90.68 113.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -95.96 172.41 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 64.05 110.952 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -147.81 171.53 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.891 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -147.85 118.1 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.54 110.908 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 122.83 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.915 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 111' ' ' LEU . 26.0 t -86.66 140.75 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.15 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 110' ' ' VAL . 1.5 mm? -118.04 138.61 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.931 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -136.17 157.17 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.877 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.41 -176.9 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.854 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.06 36.55 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 51.43 112.46 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.57 -39.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 63.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 29.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.715 -0.755 . . . . 65.5 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -111.25 122.17 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.43 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.0 m-85 -91.66 153.53 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.89 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -168.22 170.62 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.863 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.32 -88.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -85.01 -71.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.962 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.36 -29.4 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.107 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.3 p -75.49 149.88 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.05 111.127 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.1 pttp -143.69 166.13 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 61.33 110.896 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 131' ' ' LEU . 40.5 m-85 -155.12 177.17 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 74.24 110.895 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -87.38 -41.65 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 154.06 49.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 42.23 110.838 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 131' ' ' LEU . 17.8 mt -59.06 -27.09 65.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.893 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.97 -34.54 60.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -65.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.22 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -48.41 -33.56 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.93 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 128' ' ' LEU . 22.4 t -64.32 -63.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 51.01 111.12 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -54.84 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.863 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.19 -50.72 36.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 70.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.674 ' HB3' HD11 ' A' ' 148' ' ' LEU . 2.1 m-70 -64.66 -18.88 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.88 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.14 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 61.21 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.7 p -104.86 -5.13 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 72.3 110.865 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 m -131.12 148.74 52.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 65.11 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 p -43.7 161.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.416 HG12 ' ND1' ' A' ' 135' ' ' HIS . 35.9 m -141.16 -37.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 55.02 111.145 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.8 t -88.75 142.54 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.889 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -88.33 26.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 60.14 110.899 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -130.06 -49.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -125.29 -177.64 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -107.34 61.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 38.0 mt -96.78 147.89 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 62.51 111.102 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -113.18 167.47 10.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.882 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 135' ' ' HIS . 40.2 mt -80.29 108.85 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.891 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -78.9 131.89 36.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.874 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 112.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 84' ' ' LEU . 2.1 tt -71.89 139.48 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 61.22 111.097 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 4.0 tt0 -81.22 80.82 7.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.936 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.476 ' N ' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 63.32 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.99 152.83 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CD1' HD11 ' A' ' 84' ' ' LEU . 2.3 m-85 -137.59 124.07 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.67 -93.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.467 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -131.84 103.56 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 72.34 110.899 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.88 140.19 35.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.633 0.73 . . . . 71.21 111.131 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.81 141.22 44.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 54.5 112.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' HH21 ' A' ' 86' ' ' ARG . 1.8 ptm180 -33.39 -43.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.19 -59.19 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.121 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -46.3 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.0 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 52.01 111.108 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.707 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -59.54 -28.63 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.827 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.08 -44.4 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 62.21 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.1 mmt -59.33 -38.48 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.875 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 151' ' ' ILE . 6.4 mt -81.5 -40.41 23.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 73.54 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -58.96 -42.34 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -25.08 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -58.97 169.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 64.22 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.07 -22.65 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.889 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -164.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.29 117.64 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.42 22.29 6.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 52.14 112.497 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.51 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.01 128.9 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 53.2 111.062 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.757 ' HB2' HD21 ' A' ' 97' ' ' LEU . 1.3 p90 -106.82 146.51 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.891 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -154.04 114.08 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.3 mt -92.48 114.06 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.136 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.503 HH21 ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -109.12 152.56 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.24 110.865 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.78 142.72 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 5.6 m -72.21 161.78 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 61.11 110.888 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -37.4 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.858 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.25 3.68 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.879 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.77 95.31 35.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.7 . . . . 73.15 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.9 Cg_endo -69.77 146.54 60.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 72.44 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . 62.39 24.88 66.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 74.24 112.462 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.44 121.72 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.42 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -115.21 140.05 49.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.895 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -138.57 120.22 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.795 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.769 ' C ' HD13 ' A' ' 97' ' ' LEU . 1.9 tm? -88.62 137.09 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 75.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.654 ' N ' HD13 ' A' ' 97' ' ' LEU . 7.5 m -121.14 106.76 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 61.21 110.862 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.584 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -108.53 137.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 73.31 111.12 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -85.73 139.97 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.584 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 29.0 m-85 -136.2 92.81 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 61.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.89 -115.99 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.765 . . . . 71.32 112.522 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.33 6.61 44.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 73.03 110.912 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.34 131.83 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.21 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.707 HG11 ' OE1' ' A' ' 71' ' ' GLU . 92.9 t -99.48 137.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.11 111.143 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -117.36 173.53 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.436 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 6.6 m80 -137.52 171.94 13.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.22 110.859 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -144.22 119.32 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 115.12 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.879 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.57 128.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.52 111.157 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 119' ' ' PHE . 3.9 mm? -92.95 137.52 32.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -132.29 132.92 43.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.84 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.81 171.6 19.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 43.34 110.853 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.602 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 80.75 -46.16 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 73.53 112.52 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 167.73 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 70.12 111.117 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.41 19.86 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 72.53 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -92.09 133.4 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 70.02 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.462 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 9.2 m-85 -101.43 161.36 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 71.24 110.921 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 8.9 p90 -171.4 159.77 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -159.99 160.91 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.01 110.919 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.418 ' HD1' HD23 ' A' ' 120' ' ' LEU . 98.5 m95 40.28 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 120' ' ' LEU . 13.8 t -141.17 69.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 p -179.8 152.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.164 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 156.42 45.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.891 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.458 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.2 m-85 -156.41 179.29 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.884 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.75 -43.5 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.61 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.876 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 95' ' ' PHE . 15.3 mt -67.9 -34.73 77.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.939 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.28 -39.56 60.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.928 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -58.08 -27.4 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 70.11 110.908 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.68 HD21 HD12 ' A' ' 120' ' ' LEU . 7.5 mp -80.44 -44.4 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 61.04 110.938 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 83' ' ' PHE . 18.7 t -57.47 -49.49 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 55.21 111.119 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.85 -54.13 30.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 43.14 110.863 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.444 ' HE1' HG21 ' A' ' 138' ' ' THR . 7.0 t80 -45.74 -53.16 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.915 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.53 ' HA ' HG22 ' A' ' 138' ' ' THR . 40.4 m80 -66.54 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.808 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.856 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.0 t -99.7 -28.0 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 70.13 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 135' ' ' HIS . 3.9 t -108.56 154.18 22.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.094 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.6 t -46.37 167.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.437 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 35.3 m -132.72 -37.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 70.51 111.161 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 40.9 p -94.78 163.06 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.855 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -102.47 21.62 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.864 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -128.01 -48.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -179.88 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.924 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -100.32 76.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.92 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 147' ' ' PHE . 34.7 mt -99.81 158.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.0 m-85 -130.27 165.46 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.506 HD22 ' CG2' ' A' ' 99' ' ' VAL . 13.0 mt -75.15 109.11 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 61.33 110.888 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -86.24 143.99 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -57.4 124.97 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -101.5 149.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.105 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 151' ' ' ILE . 0.1 OUTLIER -59.69 103.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.886 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.918 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 65.24 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -94.28 138.12 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.626 ' CE1' HD12 ' A' ' 84' ' ' LEU . 14.7 m-85 -125.15 131.73 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.871 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -49.1 -91.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 73.12 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 101.42 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.696 0.284 . . . . 74.32 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.748 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pt -129.12 137.22 30.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 71.34 111.126 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.73 145.17 56.49 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.282 . . . . 74.0 112.31 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.3 ptm180 -36.23 -45.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 73.31 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -54.56 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.35 111.076 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -49.79 -38.02 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 53.54 110.94 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.26 94.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 31.12 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 1.6 mt-10 -68.44 -25.06 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.906 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.95 -40.55 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.21 -36.29 83.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.909 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 82' ' ' ALA . 15.3 mt -85.66 -47.32 9.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 54.14 110.919 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 29.6 t -51.32 -44.72 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 43.22 110.851 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -58.89 -26.53 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 62.03 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 151' ' ' ILE . 54.1 mm-40 -61.41 164.46 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -105.39 -30.28 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 54.22 110.875 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 177.27 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.825 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.91 107.96 12.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 65.43 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.7 16.73 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 63.11 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.554 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 124.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.22 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.819 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.5 p90 -106.9 150.7 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.837 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.923 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -159.91 113.79 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.93 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.4 mt -88.12 129.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.12 144.65 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.6 139.3 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 157.31 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.868 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.85 -49.47 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.856 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -10.77 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.863 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -123.47 89.76 50.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.555 0.693 . . . . 74.3 111.074 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.76 124.69 11.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.14 112.327 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.1 7.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.479 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.68 128.46 36.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 64.31 110.859 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 46.1 m-85 -106.92 142.76 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.2 t -138.79 115.16 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 53.2 110.884 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -88.21 128.07 35.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.24 110.929 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.521 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -114.01 110.13 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.618 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.51 127.69 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 72.3 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 29.0 tttm -85.2 116.43 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.618 ' CE2' HG11 ' A' ' 99' ' ' VAL . 9.4 m-85 -114.61 96.64 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.36 -121.25 26.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 42.13 112.493 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.69 22.68 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.44 110.842 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.3 110.74 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 71.52 110.892 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.504 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.07 120.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.11 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.78 173.83 6.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.938 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.66 164.19 31.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -135.14 128.46 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 116.95 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.17 119.2 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.113 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 111' ' ' LEU . 3.0 mm? -89.93 143.56 26.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.911 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -136.9 174.36 10.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.887 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.13 -167.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.849 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.73 31.29 6.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 60.05 112.473 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.06 10.14 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.01 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.39 36.14 50.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 71.01 112.514 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' NZ ' ' ND2' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.336 . . . . 64.2 110.857 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -114.47 155.21 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.1 OUTLIER -171.39 163.33 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.853 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.8 -88.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 60.3 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -78.1 -145.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.863 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 122' ' ' VAL . 33.8 m -76.29 46.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 5.1 p -163.06 152.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 52.15 111.14 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.455 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -126.2 175.45 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.825 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.69 ' HB2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -155.3 168.65 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.887 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' ND2' ' NZ ' ' A' ' 117' ' ' LYS . 6.6 m120 -98.87 -42.53 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.868 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.2 t -127.55 167.06 16.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.41 110.83 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 70.2 mt -70.8 -56.6 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -40.63 -35.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.05 -43.03 99.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.14 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 125' ' ' PHE . 5.3 mp -66.04 -49.52 67.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.928 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.528 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 82.7 t -53.08 -42.11 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.093 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.46 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.32 -23.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.929 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 148' ' ' LEU . 19.8 m170 -79.15 -35.25 42.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 51.35 110.849 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -21.81 51.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 43.33 110.878 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 t -89.08 -30.45 18.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.2 m -123.04 147.84 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 62.14 111.164 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 79.1 p -41.75 159.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 50.13 110.832 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.9 -35.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.129 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 p -84.73 141.24 30.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.872 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 21.75 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.53 -54.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 54.14 110.869 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.51 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.23 110.909 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -109.67 88.57 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.33 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 147' ' ' PHE . 18.7 mt -131.09 163.9 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.112 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.557 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.4 m-85 -122.85 173.74 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 135' ' ' HIS . 57.0 mt -84.03 109.2 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 53.13 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -79.95 138.45 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.53 110.851 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.09 110.34 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.866 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -68.39 143.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.133 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.51 84.65 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.897 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.943 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.887 ' CZ2' HG11 ' A' ' 132' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 74.02 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -123.68 151.06 43.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 84' ' ' LEU . 15.3 m-85 -133.8 139.27 46.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.872 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.53 112.64 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 31.43 112.528 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 2.3 mppt? 44.63 96.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 73.43 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.5 pp -145.24 136.27 12.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 64.3 111.112 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.4 45.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 70.24 112.348 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -35.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.905 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.83 80.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 45.35 111.04 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -45.15 87.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 74.35 110.867 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -55.04 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 74.54 111.069 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.25 -36.04 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.885 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.34 -47.41 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.827 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 76' ' ' LYS . 36.4 mmt -54.26 -34.0 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 62.42 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 82' ' ' ALA . 8.6 mt -83.26 -50.28 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 71.24 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -50.09 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 73' ' ' MET . 2.0 ptpt -48.09 -29.19 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.901 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 40.9 mm-40 -66.28 -179.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.943 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -128.15 -33.31 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.1 110.909 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -169.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.825 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -127.89 124.92 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 149' ' ' ARG . . . 112.38 19.69 6.97 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 71.22 112.512 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.02 106.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 72.22 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -104.33 150.91 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.916 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.9 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -157.45 126.95 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 62.05 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.83 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 56.6 mt -101.13 129.13 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.163 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -113.67 154.35 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.866 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.15 147.34 44.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -62.33 176.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.857 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -100.81 -36.8 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.21 110.904 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.54 14.07 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.84 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -125.37 94.67 42.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 74.33 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.79 130.68 19.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 75.31 112.363 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.0 -1.44 67.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 51.55 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.0 109.01 18.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 61.34 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.709 ' CG ' HD11 ' A' ' 128' ' ' LEU . 72.5 m-85 -117.96 137.62 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.22 110.924 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t -135.0 124.06 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 98' ' ' SER . 3.2 tm? -87.99 138.0 31.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.816 ' N ' HD13 ' A' ' 97' ' ' LEU . 14.5 m -129.49 108.39 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.869 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.594 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -111.74 147.82 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 72.14 111.11 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.17 123.53 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.889 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.594 ' CE2' HG11 ' A' ' 99' ' ' VAL . 12.5 m-85 -129.09 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 63.34 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -126.51 19.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 55.1 112.448 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.03 25.7 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.36 . . . . 74.11 110.909 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -147.69 126.67 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.63 113.38 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 64.35 111.148 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -94.38 173.16 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -153.25 168.42 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.828 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -144.93 115.59 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.1 110.67 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.869 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.493 ' C ' HD22 ' A' ' 111' ' ' LEU . 57.4 t -76.04 131.39 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.131 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 110' ' ' VAL . 3.0 mm? -109.8 151.47 26.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -150.68 158.34 44.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.897 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.34 172.03 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.98 34.76 2.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 73.43 112.517 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.69 -39.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 63.3 111.075 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.32 32.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 35.23 112.429 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.62 134.38 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 73.51 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HH ' ' HE2' ' A' ' 95' ' ' PHE . 87.7 m-85 -104.39 158.21 16.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -171.08 167.88 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.54 110.913 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.76 -77.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.582 ' CZ2' ' HD2' ' A' ' 142' ' ' ARG . 95.7 m95 -97.59 -67.5 0.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.922 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.26 -31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 53.41 111.104 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 148.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 71.2 111.163 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -138.04 172.91 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.895 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -158.0 170.78 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.35 110.866 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.17 -55.08 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.92 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -111.54 157.96 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.81 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.709 HD11 ' CG ' ' A' ' 95' ' ' PHE . 70.3 mt -62.58 -23.76 67.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 75.11 110.956 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.418 ' O ' HG22 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -58.82 -34.96 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 62.01 110.875 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.1 OUTLIER -66.2 -22.57 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.898 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -56.59 4.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.921 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.887 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 21.7 m -49.39 -42.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.126 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ARG . 18.6 t70 -76.46 -62.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.899 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 130' ' ' GLU . 20.1 t80 -37.18 -45.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.949 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' A' ' 148' ' ' LEU . 83.4 m-70 -80.5 -30.97 37.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.824 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 133' ' ' ASP . 13.9 ttm180 -54.97 -28.84 54.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.871 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -113.35 -19.7 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.903 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.3 m -112.38 142.17 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 63.41 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -44.16 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.7 p -163.64 -35.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.3 t -85.76 126.08 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 63.15 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -81.09 -1.03 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 70.13 110.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -54.85 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.885 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.18 -172.99 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 53.23 110.878 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.67 72.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 101' ' ' PHE . 85.3 mt -119.5 151.96 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.183 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -112.86 170.91 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.937 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 135' ' ' HIS . 15.7 mt -78.81 108.61 12.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.931 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.412 ' HB3' ' C ' ' A' ' 81' ' ' GLY . 4.8 tpt180 -90.68 113.75 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.71 117.88 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 72.12 110.851 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.5 tt -68.45 152.76 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.01 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.46 103.93 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.843 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 65.13 110.912 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.473 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 4.5 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 75.42 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.0 t80 -86.67 148.19 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.913 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 12.0 m-85 -142.69 135.9 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.44 -121.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 64.4 112.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -91.48 109.12 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 72.02 110.889 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 84' ' ' LEU . 1.1 pt -145.0 135.69 12.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 61.22 111.139 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.34 60.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.676 2.251 . . . . 74.24 112.332 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -42.8 -33.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.4 110.874 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -58.14 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.068 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.92 30.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.928 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.32 32.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 62.34 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 62.8 mt-10 -47.44 -37.47 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.02 110.931 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.35 -38.72 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.81 -37.44 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 151' ' ' ILE . 7.8 mt -79.63 -48.93 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.957 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 p -57.11 -43.36 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -55.34 -23.78 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 75.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 78.3 mm-40 -61.69 -173.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.04 -29.63 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.53 110.848 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.19 -170.73 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.857 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -127.74 119.11 25.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 60.33 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.29 19.17 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.43 112.509 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -60.59 125.12 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 72.33 111.083 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.007 ' HB2' HD21 ' A' ' 97' ' ' LEU . 38.4 p90 -110.29 148.89 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.3 tt -151.84 117.38 5.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 53.52 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.473 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 62.7 mt -94.74 124.01 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.14 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 149.25 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -112.55 147.85 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.732 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.1 m -63.24 175.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.869 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' CB ' ' HG2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -95.19 -56.46 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.902 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 0.4 OUTLIER -104.0 2.85 32.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 60.15 110.839 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.732 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -107.18 82.56 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 62.41 111.082 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 70.32 112.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.4 10.04 30.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 64.05 112.453 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -103.65 143.8 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 71.23 110.858 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CG ' HD11 ' A' ' 128' ' ' LEU . 38.7 m-85 -142.86 137.23 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 p -139.15 121.33 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.007 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.2 tm? -89.86 135.97 33.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.904 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.769 ' N ' HD13 ' A' ' 97' ' ' LEU . 8.9 t -125.58 108.89 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.8 150.42 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.11 111.143 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -99.28 122.11 42.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.913 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 14.0 m-85 -123.13 97.22 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.69 -122.49 17.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.479 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 21.45 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 73.12 110.909 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -141.59 133.88 27.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 51.54 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.445 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 60.5 t -95.02 106.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 70.53 111.149 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -91.39 173.6 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.599 ' CE1' HBC2 ' A' ' 174' ' ' DTF . 4.9 p80 -157.91 164.51 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.84 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -143.14 114.46 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -62.48 122.59 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 33.13 110.921 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.7 t -89.53 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 62.21 111.122 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.497 ' HG ' ' CAS' ' A' ' 174' ' ' DTF . 2.5 mm? -109.39 179.52 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.884 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.79 156.31 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.842 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -152.46 146.92 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.869 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.48 -56.84 1.99 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.34 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 64.13 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.491 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -131.96 -23.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 34.42 112.508 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.91 125.26 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 74.21 110.864 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -110.55 169.49 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.946 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -171.38 176.59 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 64.12 110.87 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 131' ' ' LEU . 5.4 mp -125.85 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.24 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.411 ' CH2' ' CB ' ' A' ' 174' ' ' DTF . 7.4 m95 -111.53 -67.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.952 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.1 m -130.08 -4.23 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.099 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 9.9 p -100.36 138.01 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.129 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -142.19 158.73 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.45 110.896 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.43 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.4 m-85 -153.13 176.38 11.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -84.25 -46.51 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 64.52 110.85 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 t -114.42 157.18 23.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.694 HD11 ' CG ' ' A' ' 95' ' ' PHE . 13.1 mt -64.92 -27.12 68.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 62.41 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -35.0 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.869 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 3.2 mm-40 -67.8 -27.58 66.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 120' ' ' LEU . 4.3 mp -74.01 -55.41 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.926 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.5 m -56.2 -36.44 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.13 111.11 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -56.97 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.86 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -47.21 -44.69 22.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -77.14 -24.39 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -25.28 66.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.871 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -108.53 -25.56 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.915 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 48.7 m -113.35 145.04 41.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 70.43 111.171 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -42.01 160.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.844 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -142.77 -36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 60.42 111.119 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.62 149.54 25.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.31 25.11 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.875 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.45 -49.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.5 110.893 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 -178.46 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.15 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.9 87.0 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.32 110.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.5 mt -131.24 151.8 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.14 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.59 169.25 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 16.4 mt -79.54 108.97 13.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -82.41 133.14 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.2 111.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 61.22 110.853 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 74' ' ' LEU . 4.7 tt -71.24 143.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.53 111.152 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 2.0 tt0 -75.29 78.83 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.483 ' NE2' HG12 ' A' ' 154' ' ' VAL . 2.0 tm0? -43.8 163.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 70.34 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.519 HG23 ' HD2' ' A' ' 155' ' ' PRO . 5.9 p -47.68 135.0 10.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 65.13 111.132 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.519 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.6 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 62.34 112.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -113.21 104.28 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.98 80.97 5.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 72.05 110.924 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 160.48 49.56 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 72.44 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.31 111.186 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.599 HBC2 ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.739 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 5.3 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.05 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -84.55 144.26 28.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 14.1 m-85 -135.64 140.49 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.42 110.891 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.36 -140.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.767 . . . . 62.44 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.5 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 73.04 110.9 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -129.38 133.15 24.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 75.22 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.72 69.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 74.15 112.326 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' NH1' ' NE2' ' A' ' 107' ' ' HIS . 26.3 ttm-85 -45.37 -42.86 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.892 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.27 -51.82 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 42.14 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.15 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 62.21 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.51 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 62.24 111.106 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.598 ' HG2' HG11 ' A' ' 105' ' ' VAL . 50.6 mt-10 -57.43 -26.28 60.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -80.61 -44.4 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.61 -31.48 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.7 mt -86.31 -45.98 10.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -56.57 -50.92 70.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -48.02 -29.83 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 70.3 110.874 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' NE2' HG12 ' A' ' 151' ' ' ILE . 50.0 mm-40 -62.09 176.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.14 -33.7 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 60.42 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -171.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.832 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 105.13 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.39 22.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 61.22 112.499 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.66 122.79 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.335 . . . . 62.11 111.12 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.955 ' HB2' HD21 ' A' ' 97' ' ' LEU . 10.4 p90 -112.83 151.62 30.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.904 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -155.11 116.53 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.739 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 48.5 mt -90.89 123.31 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.01 111.114 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -109.06 155.78 20.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.03 110.833 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -118.19 138.0 52.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.86 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.583 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 56.2 m -58.13 174.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.815 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -103.91 -36.26 7.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.881 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.2 0.01 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -113.64 90.41 18.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 75.34 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 53.32 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.63 -4.46 34.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 55.24 112.441 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.31 118.4 24.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 53.54 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 128' ' ' LEU . 19.7 m-85 -118.2 141.08 48.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.15 110.901 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.34 124.82 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.912 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.955 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.5 tm? -91.74 136.08 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.701 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.8 t -121.59 111.17 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.865 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.67 145.83 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.31 111.155 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -97.79 131.48 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.679 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.1 m-85 -129.7 98.8 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.925 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.82 -108.76 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 62.52 112.505 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -112.54 18.35 18.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 74.35 110.923 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.61 131.96 36.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.598 HG11 ' HG2' ' A' ' 71' ' ' GLU . 91.9 t -96.11 107.55 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.122 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.647 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 42.4 mm-40 -95.29 171.46 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.924 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 1.1 m-70 -149.89 165.49 32.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.75 113.25 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.921 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 112.74 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.12 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 112' ' ' ARG . 41.3 t -71.68 124.19 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.35 111.133 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.621 HD21 ' CBQ' ' A' ' 174' ' ' DTF . 1.0 OUTLIER -88.49 131.35 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.937 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -125.97 136.66 53.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.839 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.1 163.46 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 62.1 110.864 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.17 4.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 54.14 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -173.2 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 74.45 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.0 30.5 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 43.43 112.502 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -104.58 136.08 44.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 73.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.6 m-85 -105.57 162.3 13.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 3.6 p90 -171.5 168.25 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 70.32 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.2 mt -120.49 -88.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.888 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.484 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -159.25 19.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.918 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.29 -41.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.077 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.604 HG22 ' H ' ' A' ' 124' ' ' LYS . 8.7 p -143.18 170.27 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.138 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.604 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -117.35 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.917 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER -158.73 159.63 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 75.04 110.874 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.02 -35.84 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.41 110.871 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.6 t -136.46 172.2 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.861 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.754 HD11 ' CD2' ' A' ' 95' ' ' PHE . 57.4 mt -72.89 -45.89 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -36.82 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.11 84.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 70.11 110.886 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 125' ' ' PHE . 4.3 mp -74.52 -35.32 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.919 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 60' ' ' TRP . 9.0 t -58.1 -51.36 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 134' ' ' TYR . 0.5 OUTLIER -68.24 -53.62 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 54.54 110.888 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.4 t80 -36.76 -52.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 53.35 110.946 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.43 ' HB3' HD13 ' A' ' 148' ' ' LEU . 67.0 m80 -73.68 -37.2 65.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.911 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -48.46 -25.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.9 p -112.31 -31.79 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 65.41 110.851 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 52.9 m -103.22 140.28 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 43.24 111.126 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.1 p -39.19 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 63.45 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.26 -37.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.152 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.48 133.05 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.864 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -87.09 32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -131.49 -53.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.79 -171.26 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.945 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -108.28 97.28 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.92 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 147' ' ' PHE . 7.0 mt -134.46 159.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 61.54 111.176 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.46 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.8 m-85 -114.68 151.29 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.5 OUTLIER -70.74 109.0 4.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -86.14 134.05 33.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.24 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.87 107.79 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.461 HG12 ' NE2' ' A' ' 77' ' ' GLN . 5.1 tt -54.98 151.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 53.25 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.75 88.24 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.74 158.99 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.937 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.2 p -40.11 126.03 1.67 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 63.1 111.088 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 162.13 43.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.32 112.345 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -144.02 98.12 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.98 139.29 23.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 72.01 110.907 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.14 47.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.263 . . . . 53.02 112.355 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 40.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.115 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.621 ' CBQ' HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.435 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 6.1 p-90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 51.04 110.946 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -112.95 140.78 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.86 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 28.3 m-85 -131.1 148.94 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 55.45 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.17 110.16 2.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 53.22 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 69.05 85.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.316 . . . . 62.52 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pp -148.04 132.37 8.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 65.01 111.097 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.07 66.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 72.52 112.367 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -30.1 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.53 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.43 71.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.65 77.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.888 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.71 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -55.41 -55.33 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 45.1 111.093 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -50.35 -34.85 25.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.15 -42.65 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.856 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 36.2 mmt -62.09 -29.98 70.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.3 mt -84.45 -46.34 11.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 65.04 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -43.35 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -25.85 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.888 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.1 mm-40 -61.07 179.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 75.55 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -118.18 -31.25 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.846 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -124.62 113.03 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.67 20.75 4.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 52.4 112.499 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.98 126.25 26.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.14 111.097 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.7 ' HB2' HD11 ' A' ' 97' ' ' LEU . 41.0 p90 -105.88 152.5 23.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD22 ' HB1' ' A' ' 70' ' ' ALA . 1.8 tt -154.74 117.93 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 60.14 110.936 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.435 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.2 mt -94.71 129.36 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.3 111.158 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -120.48 160.81 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.9 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -112.19 133.77 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -63.53 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.23 110.877 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -78.67 -35.71 44.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.823 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -95.8 -3.25 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.88 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.16 87.86 46.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 44.45 111.062 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 121.66 8.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.21 112.367 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.97 -14.51 44.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.542 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 132.37 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 42.21 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 128' ' ' LEU . 49.8 m-85 -115.69 144.37 44.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.839 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 p -142.88 123.08 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.857 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 83' ' ' PHE . 8.3 tp -88.06 147.9 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.875 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CE2' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -98.1 154.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 72.42 111.114 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 99' ' ' VAL . 14.0 ttpt -93.04 135.69 33.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 65.2 110.893 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CE2' HG12 ' A' ' 99' ' ' VAL . 28.3 m-85 -131.65 93.79 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.25 -109.97 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.464 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.58 25.47 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 74.23 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -150.29 139.07 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.885 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.68 124.05 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 70.54 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.44 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 22.0 mm-40 -111.26 172.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 60.43 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.56 160.56 42.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.854 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' HD1' HD23 ' A' ' 97' ' ' LEU . 57.6 m-85 -130.46 117.28 19.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.3 OUTLIER -64.81 113.74 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.872 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.43 128.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 54.22 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.721 HD21 HAS1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -104.78 147.6 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 72.03 110.887 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -138.21 167.05 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.93 -169.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.7 33.41 5.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.491 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.53 -41.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 75.43 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.54 0.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 61.41 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 135.92 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 74.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HB2' HD13 ' A' ' 131' ' ' LEU . 67.0 m-85 -98.94 152.35 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.465 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -171.19 169.3 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.868 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -92.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -81.87 -52.76 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.943 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.65 -38.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.402 HG21 ' CE2' ' A' ' 134' ' ' TYR . 10.0 p -65.66 141.85 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.094 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 5.4 pttp -140.93 167.09 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 131' ' ' LEU . 36.1 m-85 -157.33 178.18 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.908 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -88.41 -43.29 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.911 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.63 164.58 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 71.05 110.82 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 95' ' ' PHE . 16.9 mt -69.24 -56.25 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 62.34 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 129' ' ' ASN . 5.0 t30 -37.72 -44.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.872 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.27 86.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -65.11 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 63.52 110.901 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 52.2 t -64.54 -37.35 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.04 111.13 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.06 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.88 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 138' ' ' THR . 26.5 t80 -52.85 -57.36 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.978 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.562 ' HA ' HG22 ' A' ' 138' ' ' THR . 1.2 t60 -56.96 -28.69 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.45 110.831 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -72.94 -25.86 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.863 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -96.44 -12.93 23.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.853 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 135' ' ' HIS . 12.7 t -120.41 154.19 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 75.43 111.126 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.2 p -42.8 160.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 141' ' ' SER . 7.2 p -131.47 -52.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 72.2 111.095 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.581 ' N ' HG13 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -88.57 139.09 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.57 33.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -129.87 -52.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.833 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -124.96 -179.52 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.883 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -105.27 91.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.1 147.08 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.1 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.88 154.34 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.9 108.97 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.08 137.49 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -63.84 108.92 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.479 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.5 tt -57.23 149.7 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 153' ' ' GLN . 2.8 mt-10 -106.12 95.43 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 152' ' ' GLU . 19.2 tp60 -35.43 150.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.624 HG23 ' HD2' ' A' ' 155' ' ' PRO . 6.8 p -35.72 138.19 0.43 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 62.33 111.13 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.624 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.8 Cg_endo -69.72 157.69 59.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 73.32 112.347 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.2 OUTLIER -135.93 105.53 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.93 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 156' ' ' GLN . 0.7 OUTLIER -34.41 117.97 0.53 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 71.1 110.907 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.24 9.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 71.11 112.321 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.4 111.189 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.721 HAS1 HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.601 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.822 0.344 . . . . 72.33 110.944 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -127.75 152.84 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 51.42 110.875 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.853 ' CD1' HD11 ' A' ' 84' ' ' LEU . 3.4 m-85 -141.58 133.32 27.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.918 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.71 -115.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 63.14 112.44 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.7 101.18 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.299 . . . . 74.42 110.885 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG21 ' HD2' ' A' ' 62' ' ' PHE . 1.1 pp -134.95 139.88 33.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 72.23 111.151 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.74 141.33 45.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 75.32 112.331 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.0 ttm180 -35.16 -41.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.51 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.0 -57.64 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -43.45 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.22 -56.34 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.105 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.4 OUTLIER -53.9 -31.89 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.86 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -73.29 -45.78 53.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.853 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.2 mmt -55.64 -32.05 62.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 151' ' ' ILE . 4.2 mt -88.11 -49.93 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.02 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -46.94 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 43.34 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -55.17 -19.51 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.32 110.905 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.8 mm-40 -72.21 164.05 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.12 110.893 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -101.15 -38.18 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 63.52 110.871 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.54 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.78 107.54 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 70.23 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.82 21.17 2.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 63.04 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.21 128.01 34.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 24.32 111.087 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.918 ' HB2' HD21 ' A' ' 97' ' ' LEU . 2.0 p90 -110.73 149.63 30.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.6 tt -152.2 113.81 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.86 112.39 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 64.31 111.084 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.59 154.31 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.842 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.97 135.69 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.857 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.592 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.0 m -44.22 165.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 55.54 110.851 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 -18.73 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.05 110.833 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.32 5.36 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.51 110.855 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -123.55 94.76 45.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 71.44 111.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.78 120.8 7.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 74.1 112.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.04 -14.62 40.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 70.53 112.514 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -72.35 131.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.11 110.917 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 128' ' ' LEU . 50.2 m-85 -124.01 132.88 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.883 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 p -138.62 120.82 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.854 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -90.04 134.91 33.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.946 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.777 ' N ' HD13 ' A' ' 97' ' ' LEU . 6.4 t -119.76 112.71 19.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.807 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.638 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.43 139.34 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.44 111.133 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -85.98 134.78 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.5 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.638 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 12.9 m-85 -139.17 92.05 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 72.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.19 -130.21 21.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.519 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -91.56 15.14 13.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 64.3 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.35 122.44 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.854 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 71' ' ' GLU . 54.8 t -88.67 115.32 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 44.13 111.167 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.48 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 40.3 mm-40 -91.89 173.73 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.884 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -145.69 167.03 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 60.05 110.872 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 120' ' ' LEU . 14.9 m-85 -139.15 126.38 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.6 OUTLIER -75.2 123.68 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.872 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.38 130.54 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 71.42 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.679 HD11 ' CAT' ' A' ' 174' ' ' DTF . 2.0 mm? -100.1 148.23 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.903 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.423 ' NH2' ' OD1' ' A' ' 94' ' ' ASP . 10.0 mtm105 -136.09 121.78 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.853 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.92 176.1 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.843 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.23 -58.43 4.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 70.24 112.502 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -178.59 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 70.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.46 23.43 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 71.43 112.448 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -97.92 146.45 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 74.01 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CZ ' ' HG ' ' A' ' 128' ' ' LEU . 16.0 m-85 -109.09 160.98 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 7.0 p90 -170.9 166.12 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 71.12 110.891 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -138.31 -84.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.924 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -79.46 -81.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 70.53 110.933 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' VAL . 12.6 p -134.58 10.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 62.11 111.105 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 p -115.23 145.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 51.14 111.146 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -142.92 166.97 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.926 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 33.7 m-85 -158.13 178.32 10.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.888 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.31 -47.58 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.16 161.55 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.902 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 42.6 mt -67.54 -35.25 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 54.21 110.905 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -50.81 -42.73 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.838 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -55.76 -24.41 35.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -41.98 18.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.925 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 83' ' ' PHE . 15.6 t -58.88 -42.18 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.33 111.148 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ARG . 1.9 t0 -74.29 -57.3 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.825 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.1 t80 -42.99 -36.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.918 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.679 ' ND1' HG12 ' A' ' 140' ' ' VAL . 17.0 m-70 -83.54 -29.9 27.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.859 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ASP . 4.7 ttt180 -59.05 -28.88 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.25 110.866 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.03 -29.13 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 64.5 110.87 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 92.6 m -107.81 136.12 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.23 111.154 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.1 p -52.62 159.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 54.05 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.679 HG12 ' ND1' ' A' ' 135' ' ' HIS . 3.4 m -127.49 -10.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.124 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.47 141.2 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.901 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 19.5 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.878 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -123.64 -42.82 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 71.11 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.01 -178.64 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -108.55 93.9 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 147' ' ' PHE . 47.6 mt -133.38 156.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.463 ' N ' HG22 ' A' ' 146' ' ' ILE . 27.7 m-85 -115.18 161.45 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' A' ' 135' ' ' HIS . 6.6 tp -82.68 109.43 16.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.923 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -93.11 130.67 38.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.882 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 111.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.2 110.861 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 4.9 tt -57.87 150.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -99.4 95.4 7.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 170.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 63.43 110.888 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 4.4 p -44.8 128.41 5.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 70.24 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 152.59 69.22 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.249 . . . . 63.42 112.356 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.08 77.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 65.05 110.902 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -165.76 142.63 4.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 71.03 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.24 61.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.734 2.289 . . . . 70.52 112.336 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 53.12 111.143 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.679 ' CAT' HD11 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.806 0.336 . . . . 73.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.6 t80 -102.11 151.16 22.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 4.9 m-85 -137.29 131.75 32.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.96 -164.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 73.54 112.49 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -58.81 97.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.784 0.326 . . . . 74.51 110.921 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.1 pt -128.23 137.03 29.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 72.31 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 75.21 112.354 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 10.5 mtp180 -33.13 -44.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.828 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -52.7 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.109 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.3 tptt -53.35 -48.17 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.33 110.94 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.063 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.38 -32.39 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.93 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -75.91 -44.19 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 61.41 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.6 mmt -55.45 -32.81 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 84' ' ' LEU . 5.4 mt -88.82 -44.35 10.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -55.6 -40.03 71.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.836 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -23.32 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.22 110.906 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -65.33 164.2 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -102.86 -32.22 9.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 74.02 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -171.44 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 63.43 110.878 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -131.76 118.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 51.4 110.899 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.92 26.71 5.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 42.2 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.15 129.29 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 44.05 111.094 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HE2' HG11 ' A' ' 132' ' ' VAL . 2.5 p90 -108.67 137.91 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -148.44 119.16 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 75.3 110.937 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.82 124.66 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.147 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' NH1' ' HA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -114.75 151.01 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.912 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 88' ' ' SER . 1.4 tt0 -97.81 146.97 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.873 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.663 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 72.8 m -69.57 162.27 27.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.853 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 1.5 mt-10 -87.14 -59.42 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.07 28.43 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.869 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.663 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -141.19 83.1 14.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 31.1 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.86 26.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 73.31 112.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.89 2.91 74.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.707 -0.759 . . . . 53.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.04 134.7 44.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 73.02 110.853 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.5 ' CD2' HD11 ' A' ' 128' ' ' LEU . 24.3 m-85 -123.85 139.86 53.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.844 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 p -137.98 124.78 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 44.15 110.834 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 98' ' ' SER . 37.7 tp -88.33 157.93 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 61.54 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -147.92 105.78 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.876 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -105.63 149.9 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 61.32 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -95.27 133.06 39.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.9 m-85 -132.06 99.78 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 61.43 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.22 -119.21 14.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 30.24 112.512 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.32 19.35 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 64.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.35 143.48 37.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.898 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -109.78 114.37 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.112 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.481 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 65.1 mm-40 -101.22 170.93 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.887 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.57 168.68 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 71.21 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -138.41 119.11 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.875 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.5 OUTLIER -68.94 127.08 31.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.92 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 120' ' ' LEU . 21.7 t -104.17 140.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 64.54 111.047 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.812 HD21 HAT1 ' A' ' 174' ' ' DTF . 7.8 mp -121.21 165.92 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.5 110.88 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 134.89 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 61.13 110.851 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.9 165.55 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.852 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.672 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 79.84 -45.03 2.87 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 62.3 112.494 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 161.47 -20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 74.31 111.132 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -166.65 -31.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.528 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.03 117.49 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.14 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.508 ' HB2' HD13 ' A' ' 131' ' ' LEU . 65.5 m-85 -90.34 159.17 16.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.901 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 120' ' ' LEU . 2.0 p90 -170.85 167.51 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 65.43 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' VAL . 8.5 mp -136.3 -94.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.92 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.598 ' CD1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -151.55 14.95 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.872 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 121' ' ' TRP . 4.7 m -132.65 -31.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 72.44 111.169 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 124' ' ' LYS . 6.0 p -168.25 171.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 61.43 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -142.43 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.01 110.902 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -154.27 177.01 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -46.27 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.3 m -118.1 174.21 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.874 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 95' ' ' PHE . 45.1 mt -74.31 -42.73 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.31 110.892 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 132' ' ' VAL . 23.7 t30 -45.51 -50.83 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.902 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.98 -27.74 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.831 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -71.96 -49.43 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.929 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 129' ' ' ASN . 31.0 m -64.06 -31.12 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.114 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -48.52 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 138' ' ' THR . 35.0 t80 -73.73 -33.33 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.907 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.668 ' HB3' HD11 ' A' ' 148' ' ' LEU . 1.5 m170 -71.39 -36.96 71.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 70.25 110.853 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 136' ' ' ARG . 2.7 ptm85 -75.38 -29.18 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 65.13 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -16.58 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.843 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 134' ' ' TYR . 1.2 t -118.8 152.92 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.163 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -48.55 160.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.878 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 25.7 m -143.07 -36.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.12 132.21 34.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.85 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -88.6 22.13 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.46 -51.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 45.53 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -125.12 -174.87 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 73.32 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.04 87.0 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 23.0 mt -125.0 150.94 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 70.53 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.41 159.96 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.885 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 135' ' ' HIS . 50.6 mt -72.6 108.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 71.1 110.934 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -77.04 136.03 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.19 112.92 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 74' ' ' LEU . 4.7 tt -75.43 147.54 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.115 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.04 88.49 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 62.15 110.928 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 62' ' ' PHE . 3.5 tp-100 -46.21 149.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.932 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.2 p -38.37 125.99 1.09 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 50.43 111.131 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.11 67.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 73.31 112.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -165.53 80.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 53.11 110.94 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -171.89 114.75 0.41 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 72.34 110.91 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.71 68.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 71.22 112.324 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.24 111.143 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.812 HAT1 HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.708 0.29 . . . . 63.04 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.1 144.45 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 72.23 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 84' ' ' LEU . 6.6 m-85 -128.51 127.94 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.89 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 61.4 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 108.99 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 73.13 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.94 145.87 52.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 74.03 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.4 Cg_endo -69.8 135.34 30.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 53.42 112.342 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' PRO . 18.0 ttm180 -33.41 -38.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' PRO . . . -56.41 -55.98 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.156 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -41.78 68.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.864 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.73 -61.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.2 111.104 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -52.65 -32.28 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.878 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.66 -44.82 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mmt -56.94 -36.61 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 98' ' ' SER . 3.8 mt -80.59 -46.67 15.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.53 110.918 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -56.15 -47.15 78.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -21.91 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.943 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.473 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.1 mm-40 -67.51 169.49 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -109.8 -33.58 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.857 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -175.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.868 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.82 110.35 12.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 65.05 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.95 17.6 3.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 45.2 112.532 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.92 131.17 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 51.13 111.11 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.816 ' HB2' HD21 ' A' ' 97' ' ' LEU . 4.8 p90 -121.87 154.53 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.868 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.0 tt -157.05 120.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.546 HG13 HD23 ' A' ' 97' ' ' LEU . 58.3 mt -94.82 115.86 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 64.3 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -108.53 152.15 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.921 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.06 146.15 47.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.882 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -48.98 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 53.22 110.836 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -47.53 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.53 36.23 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.866 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -144.68 87.7 7.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 70.21 111.115 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.74 3.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 53.52 112.331 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.07 -18.4 5.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 71.32 112.507 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.32 110.21 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 74.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.54 136.13 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 p -141.6 127.8 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 55.54 110.851 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 83' ' ' PHE . 3.3 tm? -91.37 134.21 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.949 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.476 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.84 111.09 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 45.31 110.882 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.64 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.55 138.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 53.34 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -84.57 134.71 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.25 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.64 ' CE2' HG11 ' A' ' 99' ' ' VAL . 13.3 m-85 -139.97 92.16 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.872 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.22 -123.22 9.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 51.24 112.472 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.05 10.95 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 65.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.74 126.22 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.847 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' CG1' ' OE2' ' A' ' 71' ' ' GLU . 76.1 t -90.87 122.31 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.159 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 83.6 mt-30 -91.56 173.78 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.869 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' CE1' ' OE2' ' A' ' 71' ' ' GLU . 1.8 m-70 -142.79 158.7 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -137.31 110.34 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.489 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -63.07 120.67 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.896 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 52.4 t -83.54 127.67 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 52.12 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.481 HD11 ' CAT' ' A' ' 174' ' ' DTF . 4.0 mm? -100.74 142.22 32.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.08 134.19 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.14 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.62 172.07 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.33 110.85 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.88 -68.84 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 52.33 112.51 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.13 -56.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.4 111.134 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.42 39.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 72.03 112.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -105.73 109.17 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 53.13 110.905 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -88.77 154.5 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 62.13 110.958 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -168.82 166.24 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.91 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.29 -94.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -74.24 -71.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.899 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.2 m -132.98 -31.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 71.45 111.133 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 134' ' ' TYR . 9.1 p -71.7 142.08 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -136.6 166.53 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.914 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HD2' HD12 ' A' ' 131' ' ' LEU . 89.2 m-85 -158.33 175.94 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.1 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.33 -45.62 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.929 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.8 p -107.58 156.58 18.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.818 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.9 -44.07 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 71.41 110.928 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -44.65 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -43.05 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 44.53 110.898 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 125' ' ' PHE . 2.3 tp -62.77 -55.22 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.898 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 87.8 t -48.54 -42.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.15 111.121 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.04 -59.66 4.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.876 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.464 ' CD2' HG21 ' A' ' 123' ' ' VAL . 10.6 t80 -49.36 -32.91 12.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -28.88 60.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -29.7 61.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 63.45 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -94.61 -14.56 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.9 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 73.0 m -119.26 150.92 39.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 42.32 111.134 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.7 p -45.19 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.8 t -128.44 -57.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.152 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.8 138.67 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 51.02 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -87.07 29.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.845 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.99 -48.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 54.24 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 -167.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.55 110.928 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -110.45 89.42 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -131.89 151.05 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.109 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -112.88 168.42 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -81.39 110.49 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.04 110.909 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -90.49 134.79 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.27 110.82 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.473 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.1 tt -52.82 143.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' GLN . 3.8 tt0 -81.54 91.73 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.898 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 154' ' ' VAL . 1.5 tt0 -36.99 149.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.87 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.1 p -34.61 125.74 0.52 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 72.53 111.113 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.12 64.25 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.256 . . . . 71.44 112.363 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.2 OUTLIER -148.4 86.92 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.914 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 156' ' ' GLN . 32.9 tp60 36.49 78.98 0.32 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 54.53 110.907 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.85 51.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.651 2.234 . . . . 73.15 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.54 111.155 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.489 HAR1 ' N ' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CB ' ' CE2' ' A' ' 83' ' ' PHE . 2.6 p-90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -92.4 142.81 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 73.23 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 18.0 m-85 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.55 -103.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.52 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -113.45 103.04 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 71.34 110.864 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.57 134.76 16.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 73.23 111.135 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.65 58.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.44 112.381 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' NH2' ' OAG' ' A' ' 174' ' ' DTF . 8.4 ptp85 -41.16 -37.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -58.81 -56.46 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 61.22 111.09 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.02 -46.44 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.54 -54.01 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 44.22 111.071 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.58 -34.74 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.41 110.853 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.88 -39.34 61.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 70.33 110.896 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.0 mmt -65.98 -33.05 74.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 mt -81.05 -43.27 19.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 62.3 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.42 ' HA ' ' CD ' ' A' ' 100' ' ' LYS . 3.2 t -61.49 -42.94 99.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -24.16 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.839 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.6 mm-40 -65.46 167.07 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.886 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -102.29 -35.3 8.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.863 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -173.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.841 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -131.7 112.58 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.01 25.02 4.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 61.25 112.469 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 135.58 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.51 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.853 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.8 p90 -111.1 149.47 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.876 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.1 tt -156.95 114.66 3.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.945 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.428 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 63.9 mt -90.43 119.78 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.05 111.178 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -110.8 152.2 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -105.46 129.1 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.03 110.913 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -63.29 138.91 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.884 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.16 -37.85 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.869 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 p -85.69 -11.21 54.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.798 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -128.49 94.82 34.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 74.1 111.127 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.8 Cg_endo -69.76 135.82 31.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 74.12 112.332 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.87 18.58 67.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 53.1 112.522 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.61 122.94 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 70.42 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.419 ' CD1' HD11 ' A' ' 128' ' ' LEU . 52.9 m-85 -109.19 137.39 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.844 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -139.92 128.87 23.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 61.44 110.841 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -92.07 137.77 32.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.783 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -125.59 110.86 14.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.856 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -109.03 144.44 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.113 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CD ' ' HA ' ' A' ' 75' ' ' SER . 6.1 ttpm? -96.41 129.93 43.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.925 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 26.2 m-85 -126.39 92.36 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.908 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 32.32 112.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.14 15.0 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 71.35 110.896 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.76 124.87 20.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.883 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.99 121.27 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 55.11 111.142 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.36 173.65 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.25 163.81 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.876 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.87 118.29 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.916 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.461 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.1 OUTLIER -70.47 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.22 110.895 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.72 125.6 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 111' ' ' LEU . 1.9 mm? -89.52 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 145.89 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.877 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.25 -175.64 3.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.871 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.09 38.44 3.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 62.02 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.2 -44.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 71.43 111.09 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.75 30.3 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -117.44 151.98 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 64.23 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.67 150.18 47.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 2.5 p90 -171.27 -177.59 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.879 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -124.89 -96.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.908 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.43 1.76 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.911 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.82 -72.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 125' ' ' PHE . 12.5 p -81.12 152.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -157.85 147.76 20.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.922 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.574 ' HB2' HD12 ' A' ' 131' ' ' LEU . 48.2 m-85 -153.46 179.38 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.932 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.501 ' CG ' ' N ' ' A' ' 127' ' ' SER . 2.7 p30 -85.29 -52.38 5.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 126' ' ' ASN . 83.0 p -91.64 171.21 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.857 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 95' ' ' PHE . 13.0 mt -83.25 -43.63 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 70.13 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -49.47 -40.76 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 1.6 mt-10 -62.87 -33.16 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.13 110.838 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 125' ' ' PHE . 3.6 mp -69.61 -62.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.4 m -49.97 -28.57 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -57.71 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.876 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.601 ' HB3' HD11 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -73.84 -38.7 64.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.838 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.411 ' CB ' ' HB2' ' A' ' 148' ' ' LEU . 36.3 ptt85 -75.98 -18.43 59.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.88 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.46 -15.13 19.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 33.42 110.876 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.44 152.27 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 73.15 111.101 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.5 p -40.36 159.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 51.5 t -139.38 -42.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.127 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.86 134.2 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.869 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -85.52 22.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -53.33 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 52.2 110.907 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.43 -169.67 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.54 96.54 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.78 150.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.149 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -113.29 165.98 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 135' ' ' HIS . 42.3 mt -81.75 109.71 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.1 110.935 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -76.85 134.1 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.4 104.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 84' ' ' LEU . 1.4 tt -61.69 145.34 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.119 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -103.5 107.13 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.97 172.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.943 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 p -37.27 131.29 0.78 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 54.05 111.12 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 148.35 65.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 75.33 112.387 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -163.2 79.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.45 110.943 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.77 118.74 0.44 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 64.41 110.932 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 159' ' ' THR . 54.2 Cg_endo -69.73 170.85 15.58 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 72.14 112.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 158' ' ' PRO . 14.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.03 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.461 HAR1 ' N ' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.512 ' HB3' HG22 ' A' ' 151' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 75.43 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.8 t80 -91.2 140.68 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.857 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 11.8 m-85 -131.09 136.66 48.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.893 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.52 -148.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 14.42 112.492 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.96 92.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 73.22 110.901 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.88 130.25 18.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 73.55 111.166 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.56 67.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 74.35 112.345 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -36.95 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.79 49.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.101 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -47.7 -45.22 28.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 61.45 110.912 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.094 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.611 ' HG2' HG11 ' A' ' 105' ' ' VAL . 68.0 mt-10 -52.65 -34.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -73.14 -34.32 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 151' ' ' ILE . 34.1 mmt -70.01 -30.57 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.88 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.596 HD11 ' OG ' ' A' ' 98' ' ' SER . 7.8 mt -87.29 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -60.77 -49.89 75.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.8 ptpt -49.66 -31.14 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.92 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' NE2' HG12 ' A' ' 151' ' ' ILE . 75.3 mm-40 -59.64 172.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.88 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -117.78 -28.45 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.11 110.888 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -179.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.877 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.34 112.34 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.37 21.3 4.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.462 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -61.17 131.67 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 73.25 111.084 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.945 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.26 150.65 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.877 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -151.1 116.85 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.4 mt -91.45 130.73 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 54.44 111.118 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -121.44 151.75 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 88' ' ' SER . 31.2 tt0 -109.82 151.73 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.879 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.643 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.5 m -66.79 176.18 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.842 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.14 -37.62 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.96 -1.76 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.51 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -108.62 85.87 3.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.11 111.122 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.703 2.269 . . . . 74.51 112.34 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.38 -14.62 27.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 34.23 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.91 132.71 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 71.2 110.883 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD1' HD11 ' A' ' 128' ' ' LEU . 77.8 m-85 -128.41 143.57 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 120.37 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.9 tm? -89.67 133.33 34.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.597 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -119.65 111.48 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.615 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.32 152.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.14 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -104.24 131.45 51.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 63.53 110.927 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 31.1 m-85 -129.2 91.26 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.41 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.41 -113.72 5.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 53.44 112.515 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -106.88 25.11 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 73.34 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.58 121.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 62.55 110.811 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG11 ' HG2' ' A' ' 71' ' ' GLU . 74.5 t -90.24 109.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.124 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -95.35 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.542 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -150.17 170.17 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.25 110.823 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 107' ' ' HIS . 14.6 m-85 -144.42 123.35 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.5 110.891 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.458 ' HG2' ' CAR' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -73.94 108.51 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.925 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.36 130.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.113 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.0 mm? -98.94 143.3 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.953 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -139.85 134.95 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.881 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.74 173.99 12.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.18 -68.61 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 72.43 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -161.29 -53.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 72.34 111.057 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.77 32.66 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 53.41 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 127.8 45.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 75.21 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.71 ' HB2' HD13 ' A' ' 131' ' ' LEU . 6.7 m-85 -95.9 150.47 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.922 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 1.7 p90 -164.49 151.25 11.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 41.52 110.858 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.39 -81.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 74.03 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.593 ' C ' HG23 ' A' ' 122' ' ' VAL . 68.3 m95 -96.03 66.86 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 121' ' ' TRP . 3.1 t 79.66 -43.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.52 111.164 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 134' ' ' TYR . 1.4 p -63.45 136.38 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 54.34 111.134 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.5 ptmt -139.63 155.64 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -150.9 176.4 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.05 110.881 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.57 -39.63 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 44.13 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.1 172.65 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' A' ' 95' ' ' PHE . 8.7 mt -79.82 -54.94 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.33 -36.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.893 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.45 -45.06 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.14 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -65.63 -35.72 81.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.31 110.933 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.587 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 53.4 t -64.92 -49.36 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.51 111.12 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.65 -56.34 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 43.54 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.48 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.7 t80 -48.48 -48.58 37.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.942 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.579 ' HA ' HG22 ' A' ' 138' ' ' THR . 42.6 m-70 -66.9 -24.95 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.807 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -24.9 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -96.03 -23.96 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.865 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 135' ' ' HIS . 11.1 t -108.34 154.22 22.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 54.32 111.163 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.6 p -42.0 159.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.853 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 141' ' ' SER . 17.1 m -125.74 -46.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 55.53 111.118 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -94.56 144.01 25.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.848 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.66 29.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.66 -48.3 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.54 110.849 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.76 -171.95 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.928 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.67 99.79 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.951 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 147' ' ' PHE . 90.7 mt -134.33 158.94 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 71.41 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.53 ' N ' HG22 ' A' ' 146' ' ' ILE . 28.3 m-85 -117.09 156.61 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.9 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -78.28 111.59 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.926 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.67 140.37 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.31 110.858 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.26 115.98 16.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.864 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 74' ' ' LEU . 6.4 tt -64.77 151.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.15 111.087 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.81 81.19 8.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.849 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -51.92 141.48 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.905 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.2 p -33.54 126.58 0.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 70.11 111.147 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 166.91 26.02 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 72.31 112.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -162.97 81.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.83 130.58 2.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 73.53 110.902 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.96 8.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.238 . . . . 73.21 112.365 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.156 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.522 ' CAT' HD11 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.79 0.329 . . . . 75.33 110.937 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.32 139.82 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 19.1 m-85 -129.06 132.17 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.22 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -92.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 74.03 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' HB3' ' A' ' 87' ' ' GLU . 2.2 mmtp -123.79 110.23 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 71.53 110.885 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -137.32 135.43 19.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 73.21 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.0 Cg_endo -69.75 144.71 54.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 55.53 112.366 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.0 mmm-85 -33.55 -46.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.83 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -48.13 -52.76 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -53.32 -55.16 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.081 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.51 -32.67 28.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 55.51 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.94 -42.62 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.49 -37.23 75.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 64.35 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 82' ' ' ALA . 11.3 mt -83.03 -40.42 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 72.01 110.928 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -60.85 -50.98 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 5.7 ptpt -48.68 -32.77 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 75.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 57.1 mm-40 -55.18 167.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.931 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -166.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.852 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -130.57 114.98 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.55 25.71 3.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 64.51 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.08 114.44 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 74.51 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.822 ' HB2' HD21 ' A' ' 97' ' ' LEU . 11.4 p90 -104.4 138.36 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.92 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.926 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -147.84 115.23 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.23 110.898 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.6 mt -90.62 118.6 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.117 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -112.09 162.52 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.864 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 64' ' ' LYS . 15.1 tt0 -105.14 142.84 34.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.892 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.07 150.0 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.864 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.92 -39.43 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.849 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -87.65 -7.61 57.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.91 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.13 81.59 50.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 63.41 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.82 24.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 75.5 112.327 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.72 57.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.51 112.489 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 171.73 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.342 . . . . 73.42 110.833 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -143.99 139.19 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p -137.83 123.14 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -88.13 132.74 34.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.93 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.558 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.1 m -120.05 110.38 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 54.24 110.842 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -111.71 144.81 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 55.34 111.122 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -98.22 136.59 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.5 m-85 -135.29 93.93 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.41 -100.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 54.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.89 26.69 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.12 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -143.53 114.37 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.5 110.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 70.44 111.104 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.468 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 30.8 mt-30 -102.23 173.74 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.957 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 165.81 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 60.35 110.834 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 120' ' ' LEU . 6.7 m-85 -130.81 135.01 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.914 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -80.26 118.14 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.931 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.5 129.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.42 111.106 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.792 HD21 HAT1 ' A' ' 174' ' ' DTF . 3.7 mp -103.23 152.76 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.891 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.509 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 12.4 mtp-105 -141.38 144.13 34.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -179.15 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.9 26.24 6.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 64.34 112.486 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.04 -40.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 71.24 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.08 37.76 0.24 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 61.13 112.5 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER -115.08 125.12 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.738 0.304 . . . . 72.11 110.924 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 79.7 m-85 -90.44 148.53 22.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.901 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.56 142.16 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.4 110.857 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' A' ' 121' ' ' TRP . 6.5 tp -109.28 -70.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.941 ' CD1' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -179.44 -29.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.925 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 121' ' ' TRP . 12.4 m -108.4 -11.65 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 71.44 111.119 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 134' ' ' TYR . 2.6 p -155.62 150.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.143 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 150.02 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.925 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -152.78 175.3 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.8 -33.93 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 m -125.47 171.34 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.469 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 12.1 mt -73.72 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.426 ' HA ' ' CG2' ' A' ' 132' ' ' VAL . 7.0 p30 -37.76 -34.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.879 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.57 -45.27 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -51.3 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.919 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 129' ' ' ASN . 11.0 m -53.78 -41.25 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 55.24 111.132 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.5 OUTLIER -61.78 -65.68 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.86 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 123' ' ' VAL . 59.5 t80 -43.88 -49.25 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.962 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 0.3 OUTLIER -66.57 -26.61 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.897 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -72.49 -23.52 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.54 110.889 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.7 p -102.91 -16.69 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 51.31 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 86.2 m -125.44 140.16 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 61.21 111.171 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.1 p -41.74 161.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.874 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 135' ' ' HIS . 47.6 t -141.95 -36.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.53 134.5 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.894 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.4 mtm105 -89.76 31.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -124.89 -56.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -123.77 -165.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.932 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -119.59 83.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.976 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 147' ' ' PHE . 3.6 mt -127.88 157.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.431 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.4 m-85 -113.55 158.36 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.32 110.871 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 63.3 mt -73.08 108.95 6.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.939 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -83.31 139.45 33.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.33 105.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.824 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.4 tt -58.8 146.31 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.107 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -86.94 78.12 9.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.857 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.95 155.76 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 155' ' ' PRO . 5.4 p -41.6 136.32 1.95 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.73 . . . . 62.45 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 154' ' ' VAL . 54.2 Cg_endo -69.72 154.93 67.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.73 2.286 . . . . 73.54 112.362 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -142.38 84.22 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.82 113.55 12.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 71.34 110.938 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 157.23 61.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 70.22 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 60.24 111.115 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.792 HAT1 HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 74.42 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -89.98 144.11 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.54 110.864 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 3.8 m-85 -133.2 135.13 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 74.34 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.78 -98.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 74.14 112.501 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' ' CA ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -123.43 108.29 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 53.14 110.87 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -139.86 140.43 24.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 74.22 111.16 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.88 55.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 51.33 112.335 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.0 ptp180 -38.62 -36.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -60.56 -57.94 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.11 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -47.39 -42.41 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 63.34 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -60.27 -51.11 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.55 111.094 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.11 -34.46 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -71.88 -47.48 52.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.01 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.0 mmt -53.24 -32.22 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.1 mt -88.02 -45.45 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.923 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -53.37 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 52.2 110.893 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.64 -21.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.3 mm-40 -68.96 -177.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 71.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.09 -35.68 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -178.48 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.16 114.88 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.903 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 149' ' ' ARG . . . 116.59 19.06 5.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 64.11 112.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.628 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -58.78 115.55 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.15 111.077 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.775 ' HB2' HD11 ' A' ' 97' ' ' LEU . 42.9 p90 -104.43 149.56 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.884 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -156.14 123.8 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.902 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.98 136.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.2 111.144 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 155.66 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 88' ' ' SER . 9.3 tt0 -124.08 151.62 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.898 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 4.5 m -71.15 175.46 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.861 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' CA ' ' HG2' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -104.01 -45.27 4.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.47 -8.2 23.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.876 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.434 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -111.43 92.44 16.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 73.44 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.25 27.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 74.43 112.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.43 -16.87 60.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -70.15 125.28 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 72.4 110.87 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CG ' HD11 ' A' ' 128' ' ' LEU . 28.3 m-85 -138.85 141.87 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 m -147.06 131.04 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 72.4 110.89 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.0 tp -88.06 154.87 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 55.33 110.946 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 76.5 p -141.69 107.49 5.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 60.01 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -107.17 145.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 73.55 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -93.72 122.66 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 54.01 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 99' ' ' VAL . 29.7 m-85 -123.68 96.09 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.897 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.13 -129.05 37.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 64.3 112.496 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.47 23.92 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 74.44 110.864 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.99 144.39 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.28 118.26 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.24 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -103.44 173.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -153.07 170.3 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.883 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CD2' HD23 ' A' ' 97' ' ' LEU . 23.9 m-85 -141.13 118.59 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' HG2' ' CAR' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -70.34 111.25 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 75.03 110.905 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.25 140.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.138 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.481 HD11 ' CAT' ' A' ' 174' ' ' DTF . 3.8 mm? -99.15 152.52 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.927 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -128.17 145.51 51.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.841 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -95.85 173.77 7.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.07 28.9 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 64.05 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.96 -38.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 53.12 111.112 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.69 33.86 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 41.55 112.511 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 150.23 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 74.22 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 131' ' ' LEU . 63.5 m-85 -114.67 140.3 48.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -152.43 173.06 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.841 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.29 -86.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 63.51 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -86.95 -75.29 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 122' ' ' VAL . 8.5 p -134.31 5.34 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.01 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.41 140.42 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.145 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 160.49 37.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.53 110.919 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.428 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 73.1 m-85 -156.38 -176.82 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 73.34 110.874 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -50.25 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.55 178.91 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 45.33 110.883 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 95' ' ' PHE . 69.6 mt -81.36 -32.84 32.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 61.03 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -41.0 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 55.2 110.846 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 2.5 mm-40 -62.0 -33.04 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -69.79 -63.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 71.35 110.928 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 25.6 m -47.05 -31.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 54.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -59.49 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 4.5 t80 -46.97 -38.98 11.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.947 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.632 ' NE2' HG23 ' A' ' 140' ' ' VAL . 1.2 m-70 -80.55 -24.0 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 71.55 110.829 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.21 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -96.33 -28.55 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.836 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.2 m -118.74 143.21 47.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.158 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -40.82 160.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 45.11 110.876 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.632 HG23 ' NE2' ' A' ' 135' ' ' HIS . 5.8 p -139.42 -35.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 75.44 111.136 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.62 135.5 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.859 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.48 33.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 62.34 110.852 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.29 -54.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 53.55 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.91 -178.31 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 61.5 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 145' ' ' GLN . 9.6 pt20 -101.54 84.44 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.943 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 147' ' ' PHE . 48.5 mt -130.45 154.69 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.45 111.153 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.8 m-85 -114.05 -177.18 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.91 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 140' ' ' VAL . 8.9 mt -90.01 108.96 20.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.939 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.7 mpt_? -81.03 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.16 106.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.893 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.9 tt -69.62 150.44 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.138 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -96.07 105.43 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 65.04 110.892 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -68.13 152.63 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.875 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.2 p -33.8 126.78 0.45 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 74.42 111.096 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 154.1 68.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 75.11 112.394 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.89 83.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 71.32 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.96 121.74 32.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.601 0.715 . . . . 74.01 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.29 66.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 72.42 112.376 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 45.02 111.141 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.527 ' CAR' ' HG2' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.463 ' CG ' ' CE1' ' A' ' 83' ' ' PHE . 1.9 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 75.05 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -110.32 145.43 37.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 64.52 110.885 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 84' ' ' LEU . 13.9 m-85 -129.17 136.97 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.897 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.25 123.68 7.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 52.45 112.432 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 41.95 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.301 . . . . 72.52 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -150.37 134.87 9.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 60.43 111.136 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.72 58.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 62.14 112.349 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -44.73 -31.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.875 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.64 -52.6 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 61.2 111.113 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -54.53 -48.99 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -51.66 -57.14 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.12 111.107 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.14 -38.14 50.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.953 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.85 -41.57 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 36.7 mmt -60.77 -35.1 75.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.844 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.6 mt -80.22 -55.47 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.885 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -52.35 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 52.33 110.855 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 73' ' ' MET . 0.6 OUTLIER -46.25 -32.23 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' NE2' HG12 ' A' ' 151' ' ' ILE . 60.3 mm-40 -59.0 170.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 51.51 110.882 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -107.62 -31.61 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 61.53 110.85 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -129.47 122.77 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 61.31 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.98 21.74 7.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.494 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.75 127.34 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.01 ' HB2' HD21 ' A' ' 97' ' ' LEU . 28.0 p90 -106.9 148.39 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.878 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.5 tt -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.929 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' PHE . 43.4 mt -92.43 123.6 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.143 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -115.22 147.32 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.88 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -94.78 132.99 38.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.687 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -60.06 142.16 54.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 53.43 110.892 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.76 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.91 9.63 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 60.1 110.872 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -141.4 82.74 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 63.41 111.121 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 115.76 4.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 62.32 112.359 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.91 -14.49 12.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.489 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 125.62 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 72.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 128' ' ' LEU . 2.3 m-85 -105.28 147.37 28.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.16 119.84 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 55.03 110.857 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.01 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.3 tm? -88.98 137.11 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.799 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -124.73 109.81 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.84 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -106.44 137.3 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 72.44 111.195 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -86.67 127.94 34.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.544 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.2 m-85 -131.41 105.34 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 52.98 -116.31 5.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 65.45 112.496 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -103.2 19.7 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 53.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.12 126.34 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.851 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.98 112.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.466 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 87.5 mt-30 -89.18 173.62 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.33 164.69 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.902 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.27 126.16 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -77.07 116.82 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.03 110.878 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.057 HG22 HD11 ' A' ' 120' ' ' LEU . 87.8 t -90.73 137.89 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 53.15 111.1 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.8 mp -118.21 145.93 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 54.22 110.893 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -137.18 149.45 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.908 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -153.25 170.45 20.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.38 -70.67 2.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 55.43 112.47 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.6 -60.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.5 111.119 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.8 38.24 1.29 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.472 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -103.98 116.41 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 64.01 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 7.0 m-85 -97.36 158.1 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.876 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -166.39 155.26 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 64.03 110.89 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 1.057 HD11 HG22 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -148.4 -76.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 65.12 110.923 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.566 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 97.0 m95 -96.92 98.43 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.928 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 122' ' ' VAL . 3.4 m 28.9 41.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.161 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.642 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 9.7 p -154.07 152.19 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.118 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -131.79 170.82 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.913 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.713 ' CD1' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -156.56 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.904 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.81 -34.09 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 131' ' ' LEU . 75.4 p -132.17 169.31 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.45 110.89 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.883 HD11 ' CD2' ' A' ' 95' ' ' PHE . 13.3 mt -79.37 -44.71 20.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -36.57 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.75 -25.63 65.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.906 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -78.48 -56.52 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.933 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.6 m -54.85 -35.91 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 44.43 111.139 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -66.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -48.97 -31.62 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.911 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.425 ' HA ' HG22 ' A' ' 138' ' ' THR . 15.3 m80 -77.82 -27.89 50.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.826 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -73.71 -24.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.5 110.912 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 89.5 p -94.64 -26.69 16.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 52.53 110.84 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 135' ' ' HIS . 1.2 t -111.21 153.55 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.135 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -45.54 159.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.882 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 146' ' ' ILE . 16.6 m -140.4 -35.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 63.24 111.083 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 2.3 p -85.91 153.88 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.85 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.92 9.36 43.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.3 -38.99 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.55 110.897 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -134.21 -174.26 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -107.35 58.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 140' ' ' VAL . 56.4 mt -93.16 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.104 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.542 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.6 m-85 -121.63 170.25 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.869 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 83' ' ' PHE . 41.3 mt -81.96 108.85 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 60.35 110.947 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -78.7 137.63 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 53.12 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.02 115.18 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.838 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.448 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.57 130.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.15 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.23 94.24 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.903 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -51.87 172.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.878 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 153' ' ' GLN . 1.7 p -36.45 122.03 0.76 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 75.1 111.151 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 155.79 64.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 44.34 112.353 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -142.69 79.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.927 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 124.55 67.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 70.53 110.894 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.8 36.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 74.41 112.386 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 159' ' ' THR . 14.9 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 70.11 111.157 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.566 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' N ' ' OE1' ' A' ' 153' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.838 0.351 . . . . 75.31 110.919 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.4 t80 -106.53 148.57 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.902 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 7.2 m-85 -133.26 140.46 47.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.869 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.03 127.38 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.506 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 44.72 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 72.43 110.927 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.78 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.7 pp -139.96 124.59 11.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.12 111.18 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.2 Cg_endo -69.81 143.69 51.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 74.21 112.314 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.4 mmm-85 -33.12 -46.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -53.11 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 54.34 111.126 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.7 tptt -50.99 -53.07 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 65' ' ' ILE . . . -57.29 -52.13 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 44.03 111.107 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -54.87 -32.26 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -74.61 -47.32 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.869 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.498 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 29.7 mmt -55.44 -36.13 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 65.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.5 -51.5 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 65.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -52.59 -38.64 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 74.24 110.848 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.2 ptpt -62.58 -28.9 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 70.42 110.913 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 73' ' ' MET . 37.7 mm-40 -60.73 168.44 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.11 110.968 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.4 -32.42 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.844 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -172.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.876 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -128.02 111.55 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 60.32 110.86 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.97 23.31 3.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 32.23 112.463 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.05 126.55 28.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 74.24 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.881 ' HB2' HD11 ' A' ' 97' ' ' LEU . 34.5 p90 -112.5 148.22 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.855 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.9 tt -154.5 120.29 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 60.43 110.929 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.36 128.29 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 51.14 111.108 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.684 ' CD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.86 163.48 16.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.89 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -107.78 132.29 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -61.38 129.95 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.841 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 64' ' ' LYS . 6.8 pt-20 -70.18 -39.44 75.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.907 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 p -88.62 -10.33 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.1 93.27 30.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 55.33 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 125.38 12.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 73.14 112.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.22 30.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 53.53 112.495 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.83 122.44 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 73.01 110.87 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CG ' HD11 ' A' ' 128' ' ' LEU . 34.3 m-85 -102.47 141.37 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.0 p -142.35 120.89 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 70.22 110.889 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.2 tp -87.9 150.46 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 63.22 110.928 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.1 t -139.97 105.99 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.836 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.589 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -98.94 149.58 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.42 111.139 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -93.69 133.08 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.675 ' CE1' HD13 ' A' ' 146' ' ' ILE . 14.8 m-85 -134.08 94.35 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.18 -105.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 32.32 112.47 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 26.44 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 71.15 110.92 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -145.03 121.25 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.85 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.18 106.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.161 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 7.7 mm-40 -93.85 173.74 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.94 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -156.02 165.46 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.894 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -131.89 129.45 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.836 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.474 ' N ' HAR1 ' A' ' 174' ' ' DTF . 1.3 mmmt -76.51 112.84 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 73.25 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 120' ' ' LEU . 76.3 t -82.5 130.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.131 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.514 HD21 ' CAT' ' A' ' 174' ' ' DTF . 6.5 mp -113.84 146.43 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.899 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -146.1 159.01 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.858 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -97.61 -176.2 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.11 34.73 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 71.32 112.459 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -130.25 -45.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 50.54 111.083 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.14 30.6 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 31.31 112.473 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.75 135.0 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 44.51 110.871 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 52.0 m-85 -101.22 159.53 15.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -171.25 151.75 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.902 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 1.052 HD13 HD21 ' A' ' 131' ' ' LEU . 5.6 mp -150.25 -79.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 62.42 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 69.9 m95 -88.99 90.13 8.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.919 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' TRP . 21.9 m 34.03 33.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 73.52 111.126 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 121' ' ' TRP . 8.1 p -137.26 147.9 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.098 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.22 162.57 25.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.864 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 130' ' ' GLU . 3.1 m-85 -156.23 179.27 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 60.22 110.905 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -94.49 -34.05 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.929 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.28 -176.37 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.53 110.861 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.584 HD11 ' CG ' ' A' ' 95' ' ' PHE . 89.8 mt -74.7 -44.68 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.858 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -47.65 -48.63 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.899 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 125' ' ' PHE . 1.3 mm-40 -61.25 -23.27 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.858 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.052 HD21 HD13 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -79.1 -58.24 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.907 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 70.33 111.118 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.0 -59.64 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.899 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 1.1 t80 -42.29 -40.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.927 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.678 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -73.84 -38.28 64.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 50.23 110.87 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -56.5 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 72.32 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.95 -34.25 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.864 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.4 m -129.97 136.24 49.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 72.13 111.098 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 145' ' ' GLN . 60.6 p -67.79 158.96 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 51.34 110.86 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.591 HG22 ' NE2' ' A' ' 135' ' ' HIS . 6.2 m -131.93 -6.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.153 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.3 151.2 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 65.33 110.891 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -92.42 -3.21 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -90.82 -53.57 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 177.17 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.942 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 139' ' ' SER . 19.0 pt20 -105.91 52.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.903 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.675 HD13 ' CE1' ' A' ' 101' ' ' PHE . 4.5 mt -78.33 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.131 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.8 m-85 -118.29 152.27 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 54.13 110.928 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.678 HD21 ' CD2' ' A' ' 135' ' ' HIS . 19.2 mt -69.06 110.41 4.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -86.89 131.47 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 112.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.477 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.1 tt -68.05 147.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 63.52 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.21 87.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 154' ' ' VAL . 7.4 tp60 -47.71 160.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.923 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.669 HG23 ' HD2' ' A' ' 155' ' ' PRO . 4.4 p -33.54 138.84 0.27 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.589 0.709 . . . . 64.13 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.7 Cg_endo -69.72 146.77 61.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.235 . . . . 70.31 112.336 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 157' ' ' GLN . 42.4 tt0 -157.11 105.96 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 63.34 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 156' ' ' GLN . 0.7 OUTLIER -32.51 95.95 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 75.44 110.91 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 156' ' ' GLN . 53.5 Cg_endo -69.84 174.21 9.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.64 2.227 . . . . 73.14 112.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.165 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.563 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.737 0.304 . . . . 73.54 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.2 t80 -127.62 152.16 48.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.879 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.822 ' CE1' HD12 ' A' ' 84' ' ' LEU . 12.6 m-85 -134.97 134.19 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.893 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.77 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.506 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -101.82 96.03 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.313 . . . . 62.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -136.41 138.93 28.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 62.1 111.123 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.3 64.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 51.24 112.359 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -45.04 -30.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.839 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -64.99 -52.79 54.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -46.17 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 52.11 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -53.03 -55.39 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 53.02 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' A' ' 105' ' ' VAL . 29.8 mt-10 -52.12 -34.3 43.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.35 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.18 -39.34 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.9 mmt -60.91 -35.52 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 82' ' ' ALA . 13.7 mt -83.82 -48.66 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.2 t -51.62 -39.96 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.866 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -63.39 -23.64 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' NE2' HG12 ' A' ' 151' ' ' ILE . 51.5 mm-40 -64.11 177.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -116.06 -37.14 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -170.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.02 110.878 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -132.3 114.17 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.862 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.47 22.75 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 44.23 112.452 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 123.75 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 71.42 111.082 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -104.26 143.27 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.894 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.822 HD12 ' CE1' ' A' ' 62' ' ' PHE . 1.9 tt -155.85 113.86 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.3 mt -94.95 121.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -107.75 149.05 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.915 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -104.4 140.8 37.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.857 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -54.23 152.43 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.04 110.818 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.1 -58.02 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 72.55 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -105.64 21.77 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 54.15 110.862 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.857 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -131.89 79.69 67.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 64.13 111.066 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 73.44 112.37 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.23 -15.68 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.463 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -90.08 130.33 36.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 71.14 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 128' ' ' LEU . 69.1 m-85 -117.31 136.23 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.866 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -135.8 121.22 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 53.42 110.864 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 83' ' ' PHE . 28.6 tp -90.19 149.74 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -137.24 107.4 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.12 130.94 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.21 111.114 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -80.08 136.14 36.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 70.35 110.867 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 11.9 m-85 -132.8 100.44 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.899 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.17 -107.52 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 53.11 112.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.93 16.66 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.55 110.907 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -138.55 126.7 22.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 65.03 110.836 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 71' ' ' GLU . 46.9 t -83.31 131.85 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 63.22 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.476 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 63.2 mm-40 -115.64 173.28 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.932 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 159.64 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.03 110.846 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.498 ' CD1' HBA2 ' A' ' 174' ' ' DTF . 98.5 m-85 -129.75 131.35 46.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.896 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.457 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -79.01 112.4 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.34 110.918 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.4 t -86.42 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 64.45 111.181 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.653 HD21 ' CAS' ' A' ' 174' ' ' DTF . 7.9 mp -110.31 147.99 32.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.44 110.852 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 130.89 46.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.03 110.871 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.33 172.89 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.8 -65.3 2.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 60.22 112.506 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 65.34 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.31 23.81 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 65.22 112.477 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -90.86 129.38 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 75.25 110.868 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 m-85 -101.45 135.58 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.876 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -144.01 170.13 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.885 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.48 -91.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.03 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.455 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 10.0 m95 -83.42 -70.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.83 2.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 53.15 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -105.84 143.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 158.59 43.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.951 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.512 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 52.5 m-85 -153.06 -177.24 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -95.68 -44.32 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 76.6 p -114.42 164.52 13.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.864 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' A' ' 95' ' ' PHE . 40.6 mt -71.96 -31.52 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.919 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -38.74 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.835 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 25.4 mm-40 -59.59 -23.74 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 55.15 110.93 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 118' ' ' TYR . 3.0 mp -85.27 -54.36 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 23.1 t -47.85 -40.81 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.17 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.28 -53.83 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 70.12 110.831 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -39.92 -40.51 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.953 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.472 ' CB ' HD13 ' A' ' 148' ' ' LEU . 8.9 m80 -82.86 -36.63 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 72.04 110.86 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -53.26 -21.58 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 61.53 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.4 -23.02 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 40.44 110.889 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.9 m -108.4 140.21 42.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 44.33 111.127 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.8 p -39.5 159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.7 t -132.59 -39.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 71.13 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 137.43 32.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 42.43 110.881 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 0.1 OUTLIER -85.29 -6.94 59.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 64.24 110.914 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.03 -44.06 7.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.23 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -131.66 179.01 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.43 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.13 99.82 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 147' ' ' PHE . 57.4 mt -127.45 153.28 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.34 111.12 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.0 m-85 -114.62 145.35 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.914 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 135' ' ' HIS . 0.2 OUTLIER -66.16 109.16 2.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -88.59 140.0 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.22 110.875 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.54 111.52 6.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.895 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -58.56 144.04 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.147 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.15 79.75 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.838 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 156.99 38.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.923 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.51 127.0 2.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 74.42 111.138 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.96 68.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.219 . . . . 62.32 112.339 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.69 84.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 64.25 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -149.0 138.85 12.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 72.41 110.907 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 163.5 38.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 74.54 112.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 63.45 111.124 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.653 ' CAS' HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.455 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 64.12 110.944 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.2 t80 -127.91 152.97 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.554 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 11.9 m-85 -139.37 143.4 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 61.22 110.846 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.05 116.38 5.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 35.24 112.485 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.84 96.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 71.1 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pp -147.36 130.87 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 74.3 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 145.1 56.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 62.3 112.372 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -33.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 65.21 110.911 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.16 67.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 71.04 111.112 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.89 67.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -52.1 -50.64 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.105 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.6 -35.62 61.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.09 -43.47 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.23 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.6 mmt -59.69 -32.6 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.59 -51.41 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.22 110.925 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -50.53 -41.71 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.822 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 2.6 ptpt -59.42 -31.11 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.867 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 50.2 mm-40 -56.78 171.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.25 110.91 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -106.9 -36.65 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.478 ' HB3' ' NE ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -69.31 179.39 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 112.03 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.86 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.7 24.65 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 75.02 112.44 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 132.65 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 53.23 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 4.7 p90 -103.95 146.65 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.882 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -153.67 115.66 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.1 mt -99.54 124.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.142 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -113.08 148.08 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.867 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -105.92 154.85 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.909 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.811 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -70.99 158.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.858 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 -63.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 62.02 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -109.97 39.83 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.861 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.811 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -140.34 84.54 14.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 71.45 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.65 2.14 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 63.4 112.33 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.4 -24.4 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 64.21 112.511 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -73.96 119.58 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 72.22 110.87 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 128' ' ' LEU . 60.4 m-85 -119.59 137.04 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.917 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t -135.79 120.1 17.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.852 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 98' ' ' SER . 5.0 tp -88.01 149.27 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.463 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 t -139.02 105.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 148' ' ' LEU . 1.2 t -106.45 139.57 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -87.08 140.9 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.3 m-85 -136.28 101.01 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.87 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 54.7 -98.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -121.11 28.47 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 70.11 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.09 121.82 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 60.35 110.865 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.29 113.56 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.179 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 29.8 mm-40 -103.15 173.62 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.875 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.63 166.28 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.867 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.19 119.18 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.875 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.4 OUTLIER -69.98 104.38 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.88 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 t -64.88 119.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 51.11 111.134 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -84.25 116.98 23.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.921 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.25 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.863 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.31 -179.91 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.842 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.77 35.45 2.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 55.31 112.478 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.58 -45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 70.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.79 33.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 43.25 112.453 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -116.44 154.13 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 73.21 110.888 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.415 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 62.3 m-85 -127.82 153.32 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.912 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 1.3 p90 -169.08 170.43 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 73.54 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.51 ' HB3' ' NE1' ' A' ' 121' ' ' TRP . 3.4 mt -122.7 -58.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 75.31 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -164.62 -33.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.93 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.1 32.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.25 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.8 138.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 65.15 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -138.74 149.38 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.5 m-85 -151.77 -179.88 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.852 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -38.1 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 65.54 110.927 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.29 159.96 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.889 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 95' ' ' PHE . 7.7 mt -65.54 -36.04 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.926 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -49.04 -43.47 40.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.533 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 1.8 mp0 -54.3 -28.19 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 63.11 110.855 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.3 mp -82.56 -44.62 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 78.6 t -59.15 -39.13 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 136' ' ' ARG . 34.1 t70 -76.49 -63.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -41.27 -40.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.606 ' CB ' HD11 ' A' ' 148' ' ' LEU . 22.0 m80 -78.31 -31.46 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.1 ttp85 -57.13 -29.83 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.11 110.893 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.8 p -103.19 -33.59 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 65.22 110.871 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' HIS . 46.2 m -104.07 137.6 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.106 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.8 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 60.5 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 148' ' ' LEU . 7.2 p -131.17 -6.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.141 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.2 p -110.27 146.0 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.903 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.0 28.18 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.809 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.99 -49.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 63.23 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -126.17 -178.58 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.51 94.01 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 mt -134.7 146.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 71.52 111.192 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.45 165.47 12.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.606 HD11 ' CB ' ' A' ' 135' ' ' HIS . 17.3 mt -78.7 108.32 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 10.9 mmt180 -77.47 138.89 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.8 tt -74.56 148.67 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.143 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.12 101.66 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 159.47 32.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 64.02 110.917 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.592 HG23 ' HD2' ' A' ' 155' ' ' PRO . 4.0 p -40.33 136.56 1.37 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 71.22 111.138 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.592 ' HD2' HG23 ' A' ' 154' ' ' VAL . 54.3 Cg_endo -69.66 157.64 59.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 52.44 112.389 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.0 OUTLIER -111.57 110.26 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.904 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 156' ' ' GLN . 21.9 tt0 -36.4 118.37 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 74.11 110.91 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 149.12 66.87 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.698 2.265 . . . . 75.54 112.387 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.53 111.145 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.649 ' CB ' ' CH2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.931 ' CZ2' HG21 ' A' ' 132' ' ' VAL . 1.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 75.44 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -126.42 151.99 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 71.4 110.822 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 15.1 m-85 -131.82 143.81 50.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.14 99.94 2.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 71.22 112.499 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 52.09 104.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 72.12 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.782 HD11 HD21 ' A' ' 84' ' ' LEU . 2.2 pt -146.61 136.71 12.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 53.13 111.117 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 69' ' ' LYS . 53.8 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 75.54 112.36 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.88 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -49.74 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 62.21 111.134 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -59.75 -48.06 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.928 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.19 -56.29 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.2 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.77 -34.7 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.873 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.29 -42.44 65.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.845 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -60.35 -29.27 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 82' ' ' ALA . 19.2 mt -86.16 -55.58 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.15 110.953 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -41.81 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -19.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 58.1 mm-40 -75.15 170.28 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.24 110.93 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -109.17 -28.81 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.94 -169.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 54.4 110.876 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.53 116.1 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.833 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.74 23.76 5.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.6 129.15 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 75.04 111.113 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.79 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -108.97 145.33 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.899 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.782 HD21 HD11 ' A' ' 65' ' ' ILE . 3.5 tt -149.89 113.61 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.618 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.3 mt -89.76 123.37 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.24 111.097 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 142.33 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 60.12 110.868 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -102.59 156.74 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.867 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 m -91.46 160.91 15.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.32 110.845 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -49.93 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 4.23 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 61.32 110.876 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.38 88.82 8.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 75.23 111.055 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 111.42 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 53.21 112.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.21 -15.35 9.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.93 121.75 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 74.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 128' ' ' LEU . 59.4 m-85 -117.38 143.71 45.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -142.64 122.96 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.1 tm? -94.59 135.51 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 64.33 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.788 ' N ' HD13 ' A' ' 97' ' ' LEU . 17.6 m -121.9 110.57 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.835 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.583 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.37 138.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 61.34 111.168 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -89.09 139.22 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 17.4 m-85 -137.94 92.42 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 54.21 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.67 -98.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 52.13 112.47 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -120.67 21.66 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 71.52 110.922 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -141.77 121.83 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.88 102.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 44.11 111.115 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 52.2 mm-40 -84.83 173.81 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.924 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.553 ' CD2' HBC2 ' A' ' 174' ' ' DTF . 0.2 OUTLIER -148.87 169.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.87 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.48 124.46 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.874 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -76.92 114.74 16.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.906 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.27 134.34 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.134 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.5 mm? -105.17 137.95 42.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.973 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 124.67 25.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.43 110.864 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.81 175.28 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.52 -61.59 2.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.447 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -177.91 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 63.22 111.119 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.12 17.68 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 73.13 112.491 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 124.14 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 65.13 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.522 ' HB2' HD11 ' A' ' 131' ' ' LEU . 77.3 m-85 -96.1 154.58 17.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 2.8 p90 -171.02 156.99 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.837 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 131' ' ' LEU . 4.4 mp -123.87 -94.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.919 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -76.43 -72.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 -33.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 70.04 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 125' ' ' PHE . 9.9 p -74.2 145.7 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.13 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 125' ' ' PHE . 7.6 pttt -138.7 167.31 22.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.917 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 5.5 m-85 -156.41 -176.58 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.885 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -92.01 -56.72 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.432 ' HB2' ' ND2' ' A' ' 129' ' ' ASN . 15.1 m -103.01 177.31 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' A' ' 131' ' ' LEU . 61.7 mt -81.34 -27.07 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 127' ' ' SER . 15.3 p30 -61.84 -25.64 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.27 -26.09 60.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 62.55 110.866 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -80.86 -46.63 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.879 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.931 HG21 ' CZ2' ' A' ' 60' ' ' TRP . 7.2 t -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.31 111.109 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -57.98 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.22 -60.22 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 55.42 110.951 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -57.66 -26.58 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.879 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.92 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.855 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.6 p -96.95 -20.39 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 42.33 110.827 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -119.74 153.02 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.159 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.8 p -39.96 160.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 135' ' ' HIS . 35.4 m -138.35 -43.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.181 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -85.28 138.02 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.874 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -87.78 31.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.88 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -52.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.859 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.17 -165.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 62.43 110.941 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.93 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 147' ' ' PHE . 28.0 mt -130.61 157.85 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 65.41 111.157 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 146' ' ' ILE . 21.8 m-85 -121.72 169.65 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 135' ' ' HIS . 22.4 mt -81.97 108.77 15.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 63.42 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.99 128.89 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -57.14 103.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.2 tt -60.64 151.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.138 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 87.07 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.453 ' HG3' HG12 ' A' ' 154' ' ' VAL . 40.9 tp60 -52.26 154.47 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.886 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 153' ' ' GLN . 2.0 p -35.01 124.22 0.57 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 61.42 111.128 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.93 69.27 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.254 . . . . 62.11 112.351 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.13 81.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -177.13 129.4 0.33 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.661 0.743 . . . . 71.41 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 168.9 20.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 75.01 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 159' ' ' THR . 3.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 42.21 111.146 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.553 HBC2 ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.599 ' HB3' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 74.42 110.918 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 1.4 t80 -94.05 150.68 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD1' HD11 ' A' ' 84' ' ' LEU . 4.7 m-85 -132.3 145.21 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -96.82 119.32 6.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 43.12 112.508 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.5 mtmt 36.14 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 32.24 110.866 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.546 HD11 HD21 ' A' ' 84' ' ' LEU . 1.9 pt -136.99 135.15 19.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 63.23 111.104 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.1 Cg_endo -69.75 142.41 47.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 43.53 112.347 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.1 mtp180 -34.05 -46.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -51.97 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -49.59 64.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 42.45 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.54 43.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.075 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CB ' HG21 ' A' ' 105' ' ' VAL . 45.7 mt-10 -53.6 -30.97 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 60.11 110.921 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.14 -45.67 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 63.12 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 31.0 mmt -55.9 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.31 -41.1 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -57.59 -47.64 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.802 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -56.39 -26.37 52.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 62.4 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' NE2' HG12 ' A' ' 151' ' ' ILE . 44.9 mm-40 -60.46 163.6 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.871 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -104.49 -30.51 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -176.06 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.912 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.95 108.47 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.835 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.14 21.31 2.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 53.02 112.509 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.52 134.64 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 51.22 111.032 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.885 ' HB2' HD21 ' A' ' 97' ' ' LEU . 16.3 p90 -112.54 142.23 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.0 tt -143.93 120.75 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.938 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.57 118.57 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -106.76 145.78 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.903 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 88' ' ' SER . 5.5 tt0 -100.4 147.9 25.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.915 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.673 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -76.45 168.63 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 44.03 110.844 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -58.25 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 15.83 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.877 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.57 89.22 51.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 51.1 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.86 15.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 63.02 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.38 9.27 73.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 62.2 112.466 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.33 123.94 42.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 74.52 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 19.9 m-85 -121.6 144.03 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.926 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 t -139.24 123.42 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.44 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.885 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -95.3 139.0 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 73.54 110.916 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.849 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -128.75 111.36 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 70.03 110.886 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -108.22 140.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 74.54 111.137 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -88.1 136.68 32.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 54.44 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.6 m-85 -136.4 92.74 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 64.04 110.897 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.74 -108.01 2.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 62.21 112.517 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -110.22 24.82 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 73.34 110.885 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -144.19 135.15 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 53.15 110.864 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 71' ' ' GLU . 61.3 t -101.75 100.22 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -84.91 173.49 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' CD2' HBC2 ' A' ' 174' ' ' DTF . 0.3 OUTLIER -153.89 168.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.883 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -141.95 120.6 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.89 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -69.13 116.68 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.917 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 120' ' ' LEU . 56.1 t -73.61 138.3 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 62.31 111.174 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -104.25 136.03 44.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.937 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -121.64 173.31 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.831 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.55 176.85 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.871 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.96 24.13 5.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.436 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.27 -37.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 74.13 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.85 36.23 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 53.43 112.487 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.35 160.02 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 70.34 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -119.18 153.68 34.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -168.65 160.58 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 71.54 110.864 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -152.88 135.79 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 72.44 110.901 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.561 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 67.0 m95 61.8 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.933 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -140.46 -48.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.149 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.9 p -47.78 153.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 70.01 111.174 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 8.6 mtmm -142.51 141.44 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 28.6 m-85 -153.4 172.27 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.927 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -94.09 -42.87 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.853 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.9 176.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.3 110.9 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.787 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 78.0 mt -82.65 -39.99 21.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -50.52 -33.71 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.23 110.89 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -69.63 -37.2 76.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 44.25 110.928 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -68.52 -55.78 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.903 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 34.6 m -52.36 -39.38 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.31 111.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -65.41 -62.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -44.82 -44.12 9.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.475 ' CD2' HG22 ' A' ' 140' ' ' VAL . 17.9 m80 -75.56 -22.17 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.836 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' ASP . 32.8 ttt-85 -68.12 -31.0 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.851 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.7 p -97.34 -26.12 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 97.6 m -109.12 134.24 51.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.53 111.132 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.0 p -41.16 162.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 51.43 110.839 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 135' ' ' HIS . 94.0 t -136.02 -35.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 73.1 111.113 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -84.97 135.66 33.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.848 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.49 25.89 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.91 -43.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.868 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 170.27 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.893 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 83.04 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 147' ' ' PHE . 41.2 mt -128.4 157.26 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.494 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.1 m-85 -117.23 172.07 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.866 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 99' ' ' VAL . 71.7 mt -85.11 110.49 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 53.12 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.52 137.27 34.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.01 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 105.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.863 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 60' ' ' TRP . 1.3 tt -60.56 148.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 65.11 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.39 103.53 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.871 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -53.22 136.47 36.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.33 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.74 127.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.23 111.173 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.6 23.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 64.5 112.387 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -135.0 83.73 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 64.31 110.927 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.51 132.44 2.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 74.44 110.881 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.93 67.33 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 44.11 112.367 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.176 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.561 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 13.9 p-90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.312 . . . . 71.51 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -90.7 145.58 24.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 64.32 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 84' ' ' LEU . 21.9 m-85 -129.94 128.69 42.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.37 -93.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.452 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.26 109.05 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 73.51 110.922 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -146.8 138.74 13.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 74.14 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.65 51.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 74.14 112.372 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -39.42 -36.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.95 -59.03 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 61.05 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -41.94 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.845 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -59.07 -53.05 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.104 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 105' ' ' VAL . 91.6 mt-10 -49.71 -36.55 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.849 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.73 -41.44 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.866 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.3 mmt -62.91 -32.33 73.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.2 110.869 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 84' ' ' LEU . 11.6 mt -82.51 -47.93 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -55.42 -46.75 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.851 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -52.92 -23.11 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.901 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.8 mm-40 -68.27 171.2 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -111.68 -29.32 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -176.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.855 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -127.38 116.32 20.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.47 25.77 3.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 34.55 112.481 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.33 123.6 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 62.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.444 ' HB2' HD11 ' A' ' 97' ' ' LEU . 5.8 p90 -106.88 135.78 47.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.857 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -148.53 120.09 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.53 110.896 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.5 mt -98.1 119.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.145 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' NH2' ' OAF' ' A' ' 174' ' ' DTF . 4.7 ptt85 -114.34 142.15 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.838 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.49 160.12 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 70.31 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -72.3 147.9 45.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.846 -179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.95 -68.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 55.32 110.898 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -101.29 33.99 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.897 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -143.91 88.85 7.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 65.43 111.089 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 54.1 Cg_endo -69.77 123.91 10.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.282 . . . . 72.31 112.321 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.05 -21.59 31.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 54.12 112.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.35 110.33 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 64.35 110.872 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.9 m-85 -101.64 139.03 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.03 110.929 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.2 p -139.88 119.86 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.04 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 83' ' ' PHE . 40.2 tp -88.9 151.19 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 t -139.94 106.48 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.864 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -104.59 136.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.44 111.124 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 61.42 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.7 m-85 -113.06 93.2 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.921 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.44 -124.11 24.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 73.12 112.447 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -97.52 28.46 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 54.11 110.924 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 125.89 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 60.5 110.87 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 71' ' ' GLU . 95.1 t -90.68 113.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -95.96 172.41 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 64.05 110.952 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -147.81 171.53 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.891 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -147.85 118.1 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.54 110.908 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -68.53 122.83 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.915 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 111' ' ' LEU . 26.0 t -86.66 140.75 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.15 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' ' CAS' ' A' ' 174' ' ' DTF . 1.5 mm? -118.04 138.61 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.931 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -136.17 157.17 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.877 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.41 -176.9 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.854 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.06 36.55 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 51.43 112.46 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.57 -39.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 63.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 29.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.715 -0.755 . . . . 65.5 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -111.25 122.17 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.43 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.0 m-85 -91.66 153.53 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.89 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -168.22 170.62 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.863 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.32 -88.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -85.01 -71.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.962 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.36 -29.4 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.107 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.3 p -75.49 149.88 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.05 111.127 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.1 pttp -143.69 166.13 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 61.33 110.896 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 131' ' ' LEU . 40.5 m-85 -155.12 177.17 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 74.24 110.895 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -87.38 -41.65 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 154.06 49.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 42.23 110.838 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 131' ' ' LEU . 17.8 mt -59.06 -27.09 65.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.893 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.97 -34.54 60.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -65.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.22 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -48.41 -33.56 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.93 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 128' ' ' LEU . 22.4 t -64.32 -63.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 51.01 111.12 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -54.84 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.863 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.19 -50.72 36.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 70.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.674 ' HB3' HD11 ' A' ' 148' ' ' LEU . 2.1 m-70 -64.66 -18.88 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.88 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.14 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 61.21 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.7 p -104.86 -5.13 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 72.3 110.865 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 m -131.12 148.74 52.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 65.11 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 p -43.7 161.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.416 HG12 ' ND1' ' A' ' 135' ' ' HIS . 35.9 m -141.16 -37.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 55.02 111.145 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.8 t -88.75 142.54 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.889 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -88.33 26.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 60.14 110.899 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -130.06 -49.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -125.29 -177.64 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -107.34 61.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 38.0 mt -96.78 147.89 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 62.51 111.102 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -113.18 167.47 10.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.882 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 135' ' ' HIS . 40.2 mt -80.29 108.85 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.891 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -78.9 131.89 36.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.874 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 112.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 84' ' ' LEU . 2.1 tt -71.89 139.48 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 61.22 111.097 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 4.0 tt0 -81.22 80.82 7.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 154' ' ' VAL . 11.6 tm0? -61.64 141.87 57.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.1 p -35.4 125.0 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 70.3 111.113 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.76 20.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.733 2.288 . . . . 72.24 112.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -102.6 95.19 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -107.73 82.74 1.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 74.22 110.94 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 172.96 11.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.725 2.283 . . . . 75.42 112.372 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 53.33 111.123 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.522 ' CAS' ' HG ' ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.476 ' N ' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 63.32 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.99 152.83 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CD1' HD11 ' A' ' 84' ' ' LEU . 2.3 m-85 -137.59 124.07 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.67 -93.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.467 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -131.84 103.56 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 72.34 110.899 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.88 140.19 35.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.633 0.73 . . . . 71.21 111.131 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.81 141.22 44.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 54.5 112.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' HH21 ' A' ' 86' ' ' ARG . 1.8 ptm180 -33.39 -43.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.19 -59.19 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.121 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -46.3 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.0 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 52.01 111.108 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.707 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -59.54 -28.63 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.827 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.08 -44.4 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 62.21 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.1 mmt -59.33 -38.48 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.875 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 151' ' ' ILE . 6.4 mt -81.5 -40.41 23.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 73.54 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -58.96 -42.34 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -25.08 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -58.97 169.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 64.22 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.07 -22.65 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.889 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -164.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.29 117.64 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.42 22.29 6.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 52.14 112.497 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.51 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.01 128.9 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 53.2 111.062 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.757 ' HB2' HD21 ' A' ' 97' ' ' LEU . 1.3 p90 -106.82 146.51 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.891 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -154.04 114.08 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.3 mt -92.48 114.06 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.136 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.503 HH21 ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -109.12 152.56 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.24 110.865 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.78 142.72 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 5.6 m -72.21 161.78 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 61.11 110.888 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -37.4 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.858 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.25 3.68 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.879 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.77 95.31 35.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.7 . . . . 73.15 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.9 Cg_endo -69.77 146.54 60.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 72.44 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . 62.39 24.88 66.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 74.24 112.462 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.44 121.72 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.42 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -115.21 140.05 49.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.895 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -138.57 120.22 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.795 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.769 ' C ' HD13 ' A' ' 97' ' ' LEU . 1.9 tm? -88.62 137.09 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 75.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.654 ' N ' HD13 ' A' ' 97' ' ' LEU . 7.5 m -121.14 106.76 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 61.21 110.862 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.584 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -108.53 137.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 73.31 111.12 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -85.73 139.97 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.584 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 29.0 m-85 -136.2 92.81 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 61.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.89 -115.99 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.765 . . . . 71.32 112.522 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.33 6.61 44.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 73.03 110.912 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.34 131.83 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.21 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.707 HG11 ' OE1' ' A' ' 71' ' ' GLU . 92.9 t -99.48 137.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.11 111.143 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 48.8 mt-30 -117.36 173.53 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.897 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.436 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 6.6 m80 -137.52 171.94 13.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.22 110.859 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -144.22 119.32 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.477 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -70.48 115.12 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.879 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.57 128.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.52 111.157 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 119' ' ' PHE . 3.9 mm? -92.95 137.52 32.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -132.29 132.92 43.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.84 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.81 171.6 19.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 43.34 110.853 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.602 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 80.75 -46.16 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 73.53 112.52 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 167.73 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 70.12 111.117 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.41 19.86 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 72.53 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -92.09 133.4 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 70.02 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.462 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 9.2 m-85 -101.43 161.36 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 71.24 110.921 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 8.9 p90 -171.4 159.77 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -159.99 160.91 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.01 110.919 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.537 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 98.5 m95 40.28 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 120' ' ' LEU . 13.8 t -141.17 69.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 p -179.8 152.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.164 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 156.42 45.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.891 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.458 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.2 m-85 -156.41 179.29 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.884 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.75 -43.5 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.61 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.876 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 95' ' ' PHE . 15.3 mt -67.9 -34.73 77.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.939 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.28 -39.56 60.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.928 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -58.08 -27.4 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 70.11 110.908 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.68 HD21 HD12 ' A' ' 120' ' ' LEU . 7.5 mp -80.44 -44.4 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 61.04 110.938 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 83' ' ' PHE . 18.7 t -57.47 -49.49 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 55.21 111.119 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.85 -54.13 30.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 43.14 110.863 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.444 ' HE1' HG21 ' A' ' 138' ' ' THR . 7.0 t80 -45.74 -53.16 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.915 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.53 ' HA ' HG22 ' A' ' 138' ' ' THR . 40.4 m80 -66.54 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.808 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.856 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.0 t -99.7 -28.0 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 70.13 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 135' ' ' HIS . 3.9 t -108.56 154.18 22.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.094 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.6 t -46.37 167.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.437 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 35.3 m -132.72 -37.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 70.51 111.161 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 40.9 p -94.78 163.06 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.855 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -102.47 21.62 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.864 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -128.01 -48.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -179.88 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.924 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -100.32 76.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.92 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 147' ' ' PHE . 34.7 mt -99.81 158.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.0 m-85 -130.27 165.46 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.506 HD22 ' CG2' ' A' ' 99' ' ' VAL . 13.0 mt -75.15 109.11 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 61.33 110.888 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -86.24 143.99 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -57.4 124.97 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -101.5 149.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.105 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 151' ' ' ILE . 0.1 OUTLIER -59.69 103.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.886 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -101.05 154.06 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.918 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.4 p -43.03 127.82 3.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 31.21 111.131 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.49 45.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 42.1 112.363 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -171.02 85.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.939 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.24 117.33 3.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.24 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.65 30.32 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.692 2.262 . . . . 33.12 112.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.139 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 65.24 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -94.28 138.12 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.626 ' CE1' HD12 ' A' ' 84' ' ' LEU . 14.7 m-85 -125.15 131.73 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.871 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -49.1 -91.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 73.12 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 101.42 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.696 0.284 . . . . 74.32 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.748 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pt -129.12 137.22 30.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 71.34 111.126 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.73 145.17 56.49 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.282 . . . . 74.0 112.31 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.3 ptm180 -36.23 -45.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 73.31 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -54.56 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.35 111.076 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -49.79 -38.02 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 53.54 110.94 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.26 94.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 31.12 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 1.6 mt-10 -68.44 -25.06 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.906 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.95 -40.55 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.21 -36.29 83.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.909 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 82' ' ' ALA . 15.3 mt -85.66 -47.32 9.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 54.14 110.919 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 29.6 t -51.32 -44.72 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 43.22 110.851 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -58.89 -26.53 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 62.03 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 151' ' ' ILE . 54.1 mm-40 -61.41 164.46 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -105.39 -30.28 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 54.22 110.875 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 177.27 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.825 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.91 107.96 12.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 65.43 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.7 16.73 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 63.11 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.554 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 124.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.22 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.819 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.5 p90 -106.9 150.7 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.837 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.923 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -159.91 113.79 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.93 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.4 mt -88.12 129.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.12 144.65 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.6 139.3 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 157.31 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.868 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.85 -49.47 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.856 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -10.77 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.863 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -123.47 89.76 50.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.555 0.693 . . . . 74.3 111.074 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.76 124.69 11.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.14 112.327 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.1 7.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.479 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.68 128.46 36.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 64.31 110.859 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 46.1 m-85 -106.92 142.76 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.2 t -138.79 115.16 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 53.2 110.884 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -88.21 128.07 35.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.24 110.929 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.521 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -114.01 110.13 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.618 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.51 127.69 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 72.3 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 29.0 tttm -85.2 116.43 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.618 ' CE2' HG11 ' A' ' 99' ' ' VAL . 9.4 m-85 -114.61 96.64 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.36 -121.25 26.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 42.13 112.493 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.69 22.68 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.44 110.842 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.3 110.74 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 71.52 110.892 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.504 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.07 120.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.11 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.459 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 2.1 mm-40 -101.78 173.83 6.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.66 164.19 31.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -135.14 128.46 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -77.34 116.95 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.904 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.17 119.2 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.113 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 111' ' ' LEU . 3.0 mm? -89.93 143.56 26.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.911 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -136.9 174.36 10.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.887 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.13 -167.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.849 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.73 31.29 6.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 60.05 112.473 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.06 10.14 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.01 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.39 36.14 50.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 71.01 112.514 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' NZ ' ' ND2' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.336 . . . . 64.2 110.857 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -114.47 155.21 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.1 OUTLIER -171.39 163.33 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.853 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.8 -88.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 60.3 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 17.5 m95 -78.1 -145.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.863 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 122' ' ' VAL . 33.8 m -76.29 46.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 5.1 p -163.06 152.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 52.15 111.14 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.455 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -126.2 175.45 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.825 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.69 ' HB2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -155.3 168.65 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.887 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' ND2' ' NZ ' ' A' ' 117' ' ' LYS . 6.6 m120 -98.87 -42.53 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.868 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.2 t -127.55 167.06 16.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.41 110.83 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 70.2 mt -70.8 -56.6 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -40.63 -35.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.05 -43.03 99.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.14 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 125' ' ' PHE . 5.3 mp -66.04 -49.52 67.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.928 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.528 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 82.7 t -53.08 -42.11 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.093 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.46 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.32 -23.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.929 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 148' ' ' LEU . 19.8 m170 -79.15 -35.25 42.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 51.35 110.849 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -21.81 51.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 43.33 110.878 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 t -89.08 -30.45 18.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.2 m -123.04 147.84 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 62.14 111.164 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 79.1 p -41.75 159.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 50.13 110.832 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.9 -35.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.129 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 p -84.73 141.24 30.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.872 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 21.75 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.53 -54.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 54.14 110.869 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.51 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.23 110.909 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -109.67 88.57 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.33 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 147' ' ' PHE . 18.7 mt -131.09 163.9 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.112 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.557 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.4 m-85 -122.85 173.74 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 135' ' ' HIS . 57.0 mt -84.03 109.2 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 53.13 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -79.95 138.45 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.53 110.851 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.09 110.34 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.866 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -68.39 143.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.133 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.51 84.65 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.897 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.3 OUTLIER -63.69 164.0 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.943 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.7 p -36.22 129.93 0.64 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 61.41 111.172 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 146.0 58.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 72.03 112.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -178.76 91.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.7 129.88 86.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 62.34 110.89 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.68 20.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 73.43 112.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 65.43 111.121 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.482 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.887 ' CZ2' HG11 ' A' ' 132' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 74.02 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -123.68 151.06 43.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 84' ' ' LEU . 15.3 m-85 -133.8 139.27 46.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.872 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.53 112.64 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 31.43 112.528 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 2.3 mppt? 44.63 96.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 73.43 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.5 pp -145.24 136.27 12.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 64.3 111.112 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.4 45.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 70.24 112.348 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -35.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.905 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.83 80.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 45.35 111.04 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -45.15 87.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 74.35 110.867 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -55.04 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 74.54 111.069 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.25 -36.04 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.885 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.34 -47.41 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.827 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 76' ' ' LYS . 36.4 mmt -54.26 -34.0 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 62.42 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 82' ' ' ALA . 8.6 mt -83.26 -50.28 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 71.24 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -50.09 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 73' ' ' MET . 2.0 ptpt -48.09 -29.19 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.901 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 40.9 mm-40 -66.28 -179.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.943 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -128.15 -33.31 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.1 110.909 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -169.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.825 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -127.89 124.92 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 149' ' ' ARG . . . 112.38 19.69 6.97 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 71.22 112.512 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.02 106.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 72.22 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -104.33 150.91 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.916 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.9 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -157.45 126.95 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 62.05 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.83 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 56.6 mt -101.13 129.13 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.163 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -113.67 154.35 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.866 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.15 147.34 44.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -62.33 176.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.857 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -100.81 -36.8 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.21 110.904 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.54 14.07 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.84 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -125.37 94.67 42.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 74.33 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.79 130.68 19.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 75.31 112.363 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.0 -1.44 67.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 51.55 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.0 109.01 18.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 61.34 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.709 ' CG ' HD11 ' A' ' 128' ' ' LEU . 72.5 m-85 -117.96 137.62 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.22 110.924 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t -135.0 124.06 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 98' ' ' SER . 3.2 tm? -87.99 138.0 31.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.816 ' N ' HD13 ' A' ' 97' ' ' LEU . 14.5 m -129.49 108.39 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.869 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.594 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -111.74 147.82 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 72.14 111.11 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.17 123.53 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.889 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.594 ' CE2' HG11 ' A' ' 99' ' ' VAL . 12.5 m-85 -129.09 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 63.34 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -126.51 19.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 55.1 112.448 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.03 25.7 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.36 . . . . 74.11 110.909 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -147.69 126.67 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.63 113.38 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 64.35 111.148 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' OE1' ' CAV' ' A' ' 174' ' ' DTF . 3.2 mm-40 -94.38 173.16 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.896 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.25 168.42 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.828 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -144.93 115.59 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.467 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -65.1 110.67 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.869 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.493 ' C ' HD22 ' A' ' 111' ' ' LEU . 57.4 t -76.04 131.39 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.131 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.692 HD11 ' CAT' ' A' ' 174' ' ' DTF . 3.0 mm? -109.8 151.47 26.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -150.68 158.34 44.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.897 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.34 172.03 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.98 34.76 2.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 73.43 112.517 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.69 -39.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 63.3 111.075 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.32 32.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 35.23 112.429 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.62 134.38 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 73.51 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HH ' ' HE2' ' A' ' 95' ' ' PHE . 87.7 m-85 -104.39 158.21 16.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -171.08 167.88 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.54 110.913 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.76 -77.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.582 ' CZ2' ' HD2' ' A' ' 142' ' ' ARG . 95.7 m95 -97.59 -67.5 0.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.922 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.26 -31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 53.41 111.104 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 148.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 71.2 111.163 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -138.04 172.91 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.895 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -158.0 170.78 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.35 110.866 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.17 -55.08 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.92 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -111.54 157.96 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.81 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.709 HD11 ' CG ' ' A' ' 95' ' ' PHE . 70.3 mt -62.58 -23.76 67.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 75.11 110.956 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.418 ' O ' HG22 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -58.82 -34.96 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 62.01 110.875 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.1 OUTLIER -66.2 -22.57 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.898 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -56.59 4.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.921 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.887 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 21.7 m -49.39 -42.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.126 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ARG . 18.6 t70 -76.46 -62.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.899 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 130' ' ' GLU . 20.1 t80 -37.18 -45.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.949 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' A' ' 148' ' ' LEU . 83.4 m-70 -80.5 -30.97 37.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.824 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 133' ' ' ASP . 13.9 ttm180 -54.97 -28.84 54.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.871 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -113.35 -19.7 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.903 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.3 m -112.38 142.17 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 63.41 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -44.16 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.7 p -163.64 -35.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.3 t -85.76 126.08 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 63.15 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -81.09 -1.03 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 70.13 110.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -54.85 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.885 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.18 -172.99 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 53.23 110.878 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.67 72.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 101' ' ' PHE . 85.3 mt -119.5 151.96 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.183 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -112.86 170.91 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.937 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 135' ' ' HIS . 15.7 mt -78.81 108.61 12.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.931 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.412 ' HB3' ' C ' ' A' ' 81' ' ' GLY . 4.8 tpt180 -90.68 113.75 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.71 117.88 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 72.12 110.851 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.5 tt -68.45 152.76 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.01 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.46 103.93 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.843 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.451 ' HG3' HG12 ' A' ' 154' ' ' VAL . 6.5 tp-100 -52.29 168.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 65.13 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.459 HG23 ' HD2' ' A' ' 155' ' ' PRO . 2.9 p -37.68 133.27 0.83 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 54.4 111.106 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.9 Cg_endo -69.72 147.85 64.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 73.33 112.35 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.26 81.02 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.93 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -155.62 153.9 27.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 75.51 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 159' ' ' THR . 53.4 Cg_endo -69.79 174.09 10.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.727 2.285 . . . . 74.4 112.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 158' ' ' PRO . 54.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.182 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' DTF . . . . . 0.692 ' CAT' HD11 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.473 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 4.5 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 75.42 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.0 t80 -86.67 148.19 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.913 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 12.0 m-85 -142.69 135.9 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.44 -121.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 64.4 112.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -91.48 109.12 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 72.02 110.889 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 84' ' ' LEU . 1.1 pt -145.0 135.69 12.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 61.22 111.139 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.34 60.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.676 2.251 . . . . 74.24 112.332 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -42.8 -33.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.4 110.874 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -58.14 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.068 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.92 30.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.928 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.32 32.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 62.34 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 62.8 mt-10 -47.44 -37.47 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.02 110.931 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.35 -38.72 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.81 -37.44 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 151' ' ' ILE . 7.8 mt -79.63 -48.93 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.957 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 p -57.11 -43.36 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -55.34 -23.78 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 75.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 78.3 mm-40 -61.69 -173.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.04 -29.63 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.53 110.848 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -81.19 -170.73 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.857 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -127.74 119.11 25.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 60.33 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.29 19.17 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.43 112.509 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -60.59 125.12 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 72.33 111.083 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.007 ' HB2' HD21 ' A' ' 97' ' ' LEU . 38.4 p90 -110.29 148.89 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.3 tt -151.84 117.38 5.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 53.52 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.473 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 62.7 mt -94.74 124.01 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.14 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 149.25 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -112.55 147.85 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.732 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.1 m -63.24 175.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.869 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' CB ' ' HG2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -95.19 -56.46 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.902 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 0.4 OUTLIER -104.0 2.85 32.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 60.15 110.839 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.732 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -107.18 82.56 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 62.41 111.082 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 70.32 112.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.4 10.04 30.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 64.05 112.453 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -103.65 143.8 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 71.23 110.858 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CG ' HD11 ' A' ' 128' ' ' LEU . 38.7 m-85 -142.86 137.23 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 p -139.15 121.33 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.007 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.2 tm? -89.86 135.97 33.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.904 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.769 ' N ' HD13 ' A' ' 97' ' ' LEU . 8.9 t -125.58 108.89 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.623 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.8 150.42 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.11 111.143 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -99.28 122.11 42.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.913 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 14.0 m-85 -123.13 97.22 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.69 -122.49 17.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.479 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 21.45 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 73.12 110.909 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -141.59 133.88 27.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 51.54 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.445 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 60.5 t -95.02 106.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 70.53 111.149 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.39 173.6 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -157.91 164.51 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.84 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -143.14 114.46 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 122.59 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 33.13 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.7 t -89.53 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 62.21 111.122 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 111' ' ' LEU . 2.5 mm? -109.39 179.52 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.884 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.79 156.31 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.842 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -152.46 146.92 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.869 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.48 -56.84 1.99 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.34 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 64.13 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.491 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -131.96 -23.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 34.42 112.508 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.91 125.26 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 74.21 110.864 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -110.55 169.49 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.946 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -171.38 176.59 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 64.12 110.87 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 131' ' ' LEU . 5.4 mp -125.85 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.24 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -111.53 -67.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.952 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.1 m -130.08 -4.23 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.099 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 9.9 p -100.36 138.01 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.129 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -142.19 158.73 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.45 110.896 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.43 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.4 m-85 -153.13 176.38 11.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -84.25 -46.51 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 64.52 110.85 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 t -114.42 157.18 23.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.694 HD11 ' CG ' ' A' ' 95' ' ' PHE . 13.1 mt -64.92 -27.12 68.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 62.41 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -35.0 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.869 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 3.2 mm-40 -67.8 -27.58 66.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 120' ' ' LEU . 4.3 mp -74.01 -55.41 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.926 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.5 m -56.2 -36.44 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.13 111.11 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -56.97 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.86 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -47.21 -44.69 22.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -77.14 -24.39 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -25.28 66.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.871 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -108.53 -25.56 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.915 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 48.7 m -113.35 145.04 41.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 70.43 111.171 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -42.01 160.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.844 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -142.77 -36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 60.42 111.119 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.62 149.54 25.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.31 25.11 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.875 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.45 -49.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.5 110.893 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 -178.46 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.15 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.9 87.0 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.32 110.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.5 mt -131.24 151.8 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.14 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.59 169.25 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 16.4 mt -79.54 108.97 13.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -82.41 133.14 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.2 111.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 61.22 110.853 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 74' ' ' LEU . 4.7 tt -71.24 143.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.53 111.152 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 2.0 tt0 -75.29 78.83 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 70.34 110.888 -179.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.739 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 5.3 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.05 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -84.55 144.26 28.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 14.1 m-85 -135.64 140.49 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.42 110.891 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.36 -140.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.767 . . . . 62.44 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.5 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 73.04 110.9 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -129.38 133.15 24.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 75.22 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.72 69.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 74.15 112.326 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.452 ' NH1' ' NE2' ' A' ' 107' ' ' HIS . 26.3 ttm-85 -45.37 -42.86 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.892 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.27 -51.82 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 42.14 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.15 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 62.21 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.51 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 62.24 111.106 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.598 ' HG2' HG11 ' A' ' 105' ' ' VAL . 50.6 mt-10 -57.43 -26.28 60.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -80.61 -44.4 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.61 -31.48 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.7 mt -86.31 -45.98 10.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -56.57 -50.92 70.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -48.02 -29.83 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 70.3 110.874 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' NE2' HG12 ' A' ' 151' ' ' ILE . 50.0 mm-40 -62.09 176.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.14 -33.7 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 60.42 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -171.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.832 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 105.13 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.39 22.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 61.22 112.499 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.66 122.79 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.335 . . . . 62.11 111.12 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.955 ' HB2' HD21 ' A' ' 97' ' ' LEU . 10.4 p90 -112.83 151.62 30.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.904 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -155.11 116.53 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.739 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 48.5 mt -90.89 123.31 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.01 111.114 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -109.06 155.78 20.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.03 110.833 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -118.19 138.0 52.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.86 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.583 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 56.2 m -58.13 174.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.815 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -103.91 -36.26 7.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.881 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.2 0.01 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -113.64 90.41 18.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 75.34 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 53.32 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.63 -4.46 34.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 55.24 112.441 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.31 118.4 24.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 53.54 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 128' ' ' LEU . 19.7 m-85 -118.2 141.08 48.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.15 110.901 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.34 124.82 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.912 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.955 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.5 tm? -91.74 136.08 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.701 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.8 t -121.59 111.17 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.865 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.67 145.83 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.31 111.155 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -97.79 131.48 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.679 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.1 m-85 -129.7 98.8 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.925 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.82 -108.76 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 62.52 112.505 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -112.54 18.35 18.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 74.35 110.923 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.61 131.96 36.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.598 HG11 ' HG2' ' A' ' 71' ' ' GLU . 91.9 t -96.11 107.55 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.122 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.647 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 42.4 mm-40 -95.29 171.46 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.924 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 1.1 m-70 -149.89 165.49 32.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.75 113.25 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.921 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 112.74 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.12 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 112' ' ' ARG . 41.3 t -71.68 124.19 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.35 111.133 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 1.0 OUTLIER -88.49 131.35 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.937 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -125.97 136.66 53.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.839 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.1 163.46 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 62.1 110.864 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.17 4.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 54.14 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -173.2 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 74.45 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.0 30.5 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 43.43 112.502 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -104.58 136.08 44.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 73.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.6 m-85 -105.57 162.3 13.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 3.6 p90 -171.5 168.25 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 70.32 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.2 mt -120.49 -88.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.888 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.484 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -159.25 19.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.918 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.29 -41.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.077 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.604 HG22 ' H ' ' A' ' 124' ' ' LYS . 8.7 p -143.18 170.27 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.138 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.604 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -117.35 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.917 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER -158.73 159.63 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 75.04 110.874 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.02 -35.84 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.41 110.871 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.6 t -136.46 172.2 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.861 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.754 HD11 ' CD2' ' A' ' 95' ' ' PHE . 57.4 mt -72.89 -45.89 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -36.82 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.11 84.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 70.11 110.886 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 125' ' ' PHE . 4.3 mp -74.52 -35.32 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.919 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 60' ' ' TRP . 9.0 t -58.1 -51.36 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 134' ' ' TYR . 0.5 OUTLIER -68.24 -53.62 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 54.54 110.888 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.4 t80 -36.76 -52.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 53.35 110.946 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.43 ' HB3' HD13 ' A' ' 148' ' ' LEU . 67.0 m80 -73.68 -37.2 65.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.911 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -48.46 -25.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.9 p -112.31 -31.79 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 65.41 110.851 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 52.9 m -103.22 140.28 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 43.24 111.126 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.1 p -39.19 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 63.45 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.26 -37.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.152 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.48 133.05 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.864 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -87.09 32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -131.49 -53.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.79 -171.26 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.945 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -108.28 97.28 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.92 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 147' ' ' PHE . 7.0 mt -134.46 159.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 61.54 111.176 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.46 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.8 m-85 -114.68 151.29 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.5 OUTLIER -70.74 109.0 4.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -86.14 134.05 33.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.24 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.87 107.79 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.461 HG12 ' NE2' ' A' ' 77' ' ' GLN . 5.1 tt -54.98 151.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 53.25 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.75 88.24 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.937 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.435 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 6.1 p-90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 51.04 110.946 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -112.95 140.78 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.86 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 28.3 m-85 -131.1 148.94 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 55.45 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.17 110.16 2.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 53.22 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 69.05 85.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.316 . . . . 62.52 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pp -148.04 132.37 8.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 65.01 111.097 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.07 66.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 72.52 112.367 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -30.1 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.53 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.43 71.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.65 77.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.888 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.71 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -55.41 -55.33 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 45.1 111.093 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -50.35 -34.85 25.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.15 -42.65 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.856 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 36.2 mmt -62.09 -29.98 70.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.3 mt -84.45 -46.34 11.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 65.04 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -43.35 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -25.85 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.888 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.479 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.1 mm-40 -61.07 179.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 75.55 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -118.18 -31.25 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.846 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.55 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.852 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -124.62 113.03 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.67 20.75 4.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 52.4 112.499 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.98 126.25 26.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.14 111.097 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.7 ' HB2' HD11 ' A' ' 97' ' ' LEU . 41.0 p90 -105.88 152.5 23.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD22 ' HB1' ' A' ' 70' ' ' ALA . 1.8 tt -154.74 117.93 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 60.14 110.936 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.435 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.2 mt -94.71 129.36 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.3 111.158 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -120.48 160.81 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.9 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -112.19 133.77 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -63.53 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.23 110.877 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -78.67 -35.71 44.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.823 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -95.8 -3.25 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.88 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.16 87.86 46.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 44.45 111.062 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 121.66 8.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.21 112.367 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.97 -14.51 44.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.542 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 132.37 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 42.21 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 128' ' ' LEU . 49.8 m-85 -115.69 144.37 44.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.839 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 p -142.88 123.08 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.857 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 83' ' ' PHE . 8.3 tp -88.06 147.9 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.875 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CE2' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -98.1 154.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 72.42 111.114 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 99' ' ' VAL . 14.0 ttpt -93.04 135.69 33.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 65.2 110.893 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CE2' HG12 ' A' ' 99' ' ' VAL . 28.3 m-85 -131.65 93.79 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.25 -109.97 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.464 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.58 25.47 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 74.23 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -150.29 139.07 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.885 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.68 124.05 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 70.54 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -111.26 172.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 60.43 110.913 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.56 160.56 42.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.854 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.532 ' HD1' HD23 ' A' ' 97' ' ' LEU . 57.6 m-85 -130.46 117.28 19.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 113.74 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.872 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.43 128.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 54.22 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -104.78 147.6 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 72.03 110.887 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -138.21 167.05 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.93 -169.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.7 33.41 5.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.491 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.53 -41.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 75.43 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.54 0.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 61.41 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 135.92 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 74.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HB2' HD13 ' A' ' 131' ' ' LEU . 67.0 m-85 -98.94 152.35 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.465 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -171.19 169.3 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.868 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -92.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -81.87 -52.76 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.943 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.65 -38.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.402 HG21 ' CE2' ' A' ' 134' ' ' TYR . 10.0 p -65.66 141.85 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.094 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 5.4 pttp -140.93 167.09 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 131' ' ' LEU . 36.1 m-85 -157.33 178.18 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.908 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -88.41 -43.29 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.911 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.63 164.58 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 71.05 110.82 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 95' ' ' PHE . 16.9 mt -69.24 -56.25 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 62.34 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 129' ' ' ASN . 5.0 t30 -37.72 -44.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.872 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.27 86.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -65.11 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 63.52 110.901 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 52.2 t -64.54 -37.35 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.04 111.13 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.06 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.88 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 138' ' ' THR . 26.5 t80 -52.85 -57.36 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.978 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.562 ' HA ' HG22 ' A' ' 138' ' ' THR . 1.2 t60 -56.96 -28.69 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.45 110.831 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -72.94 -25.86 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.863 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -96.44 -12.93 23.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.853 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 135' ' ' HIS . 12.7 t -120.41 154.19 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 75.43 111.126 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.2 p -42.8 160.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 141' ' ' SER . 7.2 p -131.47 -52.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 72.2 111.095 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.581 ' N ' HG13 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -88.57 139.09 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.57 33.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -129.87 -52.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.833 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -124.96 -179.52 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.883 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -105.27 91.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.1 147.08 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.1 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.88 154.34 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.9 108.97 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.08 137.49 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -63.84 108.92 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.479 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.5 tt -57.23 149.7 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 153' ' ' GLN . 2.8 mt-10 -106.12 95.43 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 152' ' ' GLU . 19.2 tp60 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.891 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.601 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.822 0.344 . . . . 72.33 110.944 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -127.75 152.84 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 51.42 110.875 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.853 ' CD1' HD11 ' A' ' 84' ' ' LEU . 3.4 m-85 -141.58 133.32 27.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.918 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.71 -115.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 63.14 112.44 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.7 101.18 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.299 . . . . 74.42 110.885 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG21 ' HD2' ' A' ' 62' ' ' PHE . 1.1 pp -134.95 139.88 33.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 72.23 111.151 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.74 141.33 45.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 75.32 112.331 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.0 ttm180 -35.16 -41.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.51 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.0 -57.64 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -43.45 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.22 -56.34 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.105 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.4 OUTLIER -53.9 -31.89 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.86 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -73.29 -45.78 53.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.853 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.2 mmt -55.64 -32.05 62.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 151' ' ' ILE . 4.2 mt -88.11 -49.93 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.02 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -46.94 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 43.34 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -55.17 -19.51 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.32 110.905 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.463 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.8 mm-40 -72.21 164.05 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.12 110.893 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -101.15 -38.18 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 63.52 110.871 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -62.91 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.54 110.887 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.78 107.54 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 70.23 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.82 21.17 2.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 63.04 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.21 128.01 34.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 24.32 111.087 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.918 ' HB2' HD21 ' A' ' 97' ' ' LEU . 2.0 p90 -110.73 149.63 30.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.6 tt -152.2 113.81 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.86 112.39 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 64.31 111.084 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.59 154.31 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.842 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.97 135.69 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.857 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.592 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.0 m -44.22 165.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 55.54 110.851 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 -18.73 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.05 110.833 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.32 5.36 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.51 110.855 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -123.55 94.76 45.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 71.44 111.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.78 120.8 7.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 74.1 112.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.04 -14.62 40.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 70.53 112.514 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -72.35 131.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.11 110.917 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 128' ' ' LEU . 50.2 m-85 -124.01 132.88 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.883 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 p -138.62 120.82 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.854 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -90.04 134.91 33.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.946 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.777 ' N ' HD13 ' A' ' 97' ' ' LEU . 6.4 t -119.76 112.71 19.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.807 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.638 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.43 139.34 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.44 111.133 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -85.98 134.78 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.5 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.638 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 12.9 m-85 -139.17 92.05 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 72.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.19 -130.21 21.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.519 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -91.56 15.14 13.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 64.3 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.35 122.44 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.854 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 71' ' ' GLU . 54.8 t -88.67 115.32 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 44.13 111.167 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -91.89 173.73 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -145.69 167.03 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 60.05 110.872 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 120' ' ' LEU . 14.9 m-85 -139.15 126.38 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.2 123.68 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.38 130.54 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 71.42 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 2.0 mm? -100.1 148.23 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.903 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' NH2' ' OD1' ' A' ' 94' ' ' ASP . 10.0 mtm105 -136.09 121.78 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.853 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.92 176.1 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.843 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.23 -58.43 4.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 70.24 112.502 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -178.59 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 70.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.46 23.43 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 71.43 112.448 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -97.92 146.45 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 74.01 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CZ ' ' HG ' ' A' ' 128' ' ' LEU . 16.0 m-85 -109.09 160.98 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 7.0 p90 -170.9 166.12 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 71.12 110.891 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -138.31 -84.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.924 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -79.46 -81.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 70.53 110.933 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' VAL . 12.6 p -134.58 10.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 62.11 111.105 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 p -115.23 145.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 51.14 111.146 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -142.92 166.97 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.926 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 33.7 m-85 -158.13 178.32 10.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.888 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.31 -47.58 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.16 161.55 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.902 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 42.6 mt -67.54 -35.25 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 54.21 110.905 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.402 ' H ' ' ND2' ' A' ' 129' ' ' ASN . 10.5 m-80 -50.81 -42.73 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -55.76 -24.41 35.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -41.98 18.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.925 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 83' ' ' PHE . 15.6 t -58.88 -42.18 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.33 111.148 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ARG . 1.9 t0 -74.29 -57.3 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.825 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.1 t80 -42.99 -36.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.918 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.679 ' ND1' HG12 ' A' ' 140' ' ' VAL . 17.0 m-70 -83.54 -29.9 27.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.859 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ASP . 4.7 ttt180 -59.05 -28.88 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.25 110.866 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.03 -29.13 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 64.5 110.87 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 92.6 m -107.81 136.12 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.23 111.154 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.1 p -52.62 159.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 54.05 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.679 HG12 ' ND1' ' A' ' 135' ' ' HIS . 3.4 m -127.49 -10.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.124 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.47 141.2 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.901 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 19.5 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.878 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -123.64 -42.82 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 71.11 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.01 -178.64 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -108.55 93.9 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 147' ' ' PHE . 47.6 mt -133.38 156.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.463 ' N ' HG22 ' A' ' 146' ' ' ILE . 27.7 m-85 -115.18 161.45 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' A' ' 135' ' ' HIS . 6.6 tp -82.68 109.43 16.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.923 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -93.11 130.67 38.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.882 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 111.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.2 110.861 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 4.9 tt -57.87 150.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -99.4 95.4 7.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 63.43 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.806 0.336 . . . . 73.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.6 t80 -102.11 151.16 22.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.655 ' CE1' ' NE2' ' A' ' 153' ' ' GLN . 4.9 m-85 -137.29 131.75 32.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.96 -164.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 73.54 112.49 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -58.81 97.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.784 0.326 . . . . 74.51 110.921 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.1 pt -128.23 137.03 29.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 72.31 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 75.21 112.354 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 10.5 mtp180 -33.13 -44.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.828 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -52.7 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.109 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.3 tptt -53.35 -48.17 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.33 110.94 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.063 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.38 -32.39 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.93 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -75.91 -44.19 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 61.41 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.6 mmt -55.45 -32.81 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 84' ' ' LEU . 5.4 mt -88.82 -44.35 10.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -55.6 -40.03 71.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.836 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -23.32 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.22 110.906 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -65.33 164.2 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -102.86 -32.22 9.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 74.02 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.8 -171.44 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 63.43 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -131.76 118.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 51.4 110.899 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.92 26.71 5.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 42.2 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.15 129.29 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 44.05 111.094 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HE2' HG11 ' A' ' 132' ' ' VAL . 2.5 p90 -108.67 137.91 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -148.44 119.16 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 75.3 110.937 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.82 124.66 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.147 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' NH1' ' HA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -114.75 151.01 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.912 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 88' ' ' SER . 1.4 tt0 -97.81 146.97 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.873 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.663 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 72.8 m -69.57 162.27 27.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.853 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 1.5 mt-10 -87.14 -59.42 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.07 28.43 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.869 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.663 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -141.19 83.1 14.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 31.1 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.86 26.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 73.31 112.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.89 2.91 74.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.707 -0.759 . . . . 53.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.04 134.7 44.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 73.02 110.853 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.5 ' CD2' HD11 ' A' ' 128' ' ' LEU . 24.3 m-85 -123.85 139.86 53.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.844 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 p -137.98 124.78 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 44.15 110.834 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 98' ' ' SER . 37.7 tp -88.33 157.93 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 61.54 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -147.92 105.78 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.876 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -105.63 149.9 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 61.32 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -95.27 133.06 39.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.9 m-85 -132.06 99.78 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 61.43 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.22 -119.21 14.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 30.24 112.512 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.32 19.35 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 64.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.35 143.48 37.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.898 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -109.78 114.37 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.112 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -101.22 170.93 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.887 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.57 168.68 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 71.21 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -138.41 119.11 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.875 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 127.08 31.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.92 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 120' ' ' LEU . 21.7 t -104.17 140.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 64.54 111.047 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 mp -121.21 165.92 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.5 110.88 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 134.89 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 61.13 110.851 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.9 165.55 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.852 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.672 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 79.84 -45.03 2.87 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 62.3 112.494 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 161.47 -20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 74.31 111.132 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -166.65 -31.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.528 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.03 117.49 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.14 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.508 ' HB2' HD13 ' A' ' 131' ' ' LEU . 65.5 m-85 -90.34 159.17 16.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.901 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 120' ' ' LEU . 2.0 p90 -170.85 167.51 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 65.43 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' VAL . 8.5 mp -136.3 -94.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.92 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.598 ' CD1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -151.55 14.95 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.872 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 121' ' ' TRP . 4.7 m -132.65 -31.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 72.44 111.169 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 124' ' ' LYS . 6.0 p -168.25 171.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 61.43 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -142.43 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.01 110.902 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -154.27 177.01 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -46.27 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.3 m -118.1 174.21 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.874 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 95' ' ' PHE . 45.1 mt -74.31 -42.73 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.31 110.892 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 132' ' ' VAL . 23.7 t30 -45.51 -50.83 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.902 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.98 -27.74 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.831 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -71.96 -49.43 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.929 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 129' ' ' ASN . 31.0 m -64.06 -31.12 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.114 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -48.52 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 138' ' ' THR . 35.0 t80 -73.73 -33.33 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.907 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.668 ' HB3' HD11 ' A' ' 148' ' ' LEU . 1.5 m170 -71.39 -36.96 71.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 70.25 110.853 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 136' ' ' ARG . 2.7 ptm85 -75.38 -29.18 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 65.13 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -16.58 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.843 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 134' ' ' TYR . 1.2 t -118.8 152.92 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.163 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -48.55 160.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.878 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 25.7 m -143.07 -36.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.12 132.21 34.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.85 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -88.6 22.13 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.46 -51.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 45.53 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -125.12 -174.87 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 73.32 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.04 87.0 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 23.0 mt -125.0 150.94 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 70.53 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.41 159.96 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.885 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 135' ' ' HIS . 50.6 mt -72.6 108.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 71.1 110.934 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -77.04 136.03 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.19 112.92 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 74' ' ' LEU . 4.7 tt -75.43 147.54 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.115 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.04 88.49 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 62.15 110.928 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.655 ' NE2' ' CE1' ' A' ' 62' ' ' PHE . 29.9 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.932 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.708 0.29 . . . . 63.04 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.1 144.45 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 72.23 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 84' ' ' LEU . 6.6 m-85 -128.51 127.94 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.89 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 61.4 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 108.99 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 73.13 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.94 145.87 52.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 74.03 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.4 Cg_endo -69.8 135.34 30.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 53.42 112.342 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' PRO . 18.0 ttm180 -33.41 -38.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' PRO . . . -56.41 -55.98 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.156 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -41.78 68.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.864 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.73 -61.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.2 111.104 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -52.65 -32.28 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.878 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.66 -44.82 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mmt -56.94 -36.61 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 98' ' ' SER . 3.8 mt -80.59 -46.67 15.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.53 110.918 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -56.15 -47.15 78.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -21.91 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.943 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.473 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.1 mm-40 -67.51 169.49 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -109.8 -33.58 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.857 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.3 OUTLIER -69.03 -175.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.868 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.82 110.35 12.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 65.05 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.95 17.6 3.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 45.2 112.532 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.92 131.17 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 51.13 111.11 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.816 ' HB2' HD21 ' A' ' 97' ' ' LEU . 4.8 p90 -121.87 154.53 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.868 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.0 tt -157.05 120.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.546 HG13 HD23 ' A' ' 97' ' ' LEU . 58.3 mt -94.82 115.86 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 64.3 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -108.53 152.15 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.921 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.06 146.15 47.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.882 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -48.98 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 53.22 110.836 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -47.53 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.53 36.23 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.866 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -144.68 87.7 7.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 70.21 111.115 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.74 3.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 53.52 112.331 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.07 -18.4 5.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 71.32 112.507 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.32 110.21 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 74.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.54 136.13 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 p -141.6 127.8 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 55.54 110.851 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 83' ' ' PHE . 3.3 tm? -91.37 134.21 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.949 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.476 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.84 111.09 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 45.31 110.882 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.64 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.55 138.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 53.34 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -84.57 134.71 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.25 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.64 ' CE2' HG11 ' A' ' 99' ' ' VAL . 13.3 m-85 -139.97 92.16 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.872 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.22 -123.22 9.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 51.24 112.472 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.05 10.95 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 65.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.74 126.22 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.847 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.467 ' CG1' ' OE2' ' A' ' 71' ' ' GLU . 76.1 t -90.87 122.31 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.159 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 83.6 mt-30 -91.56 173.78 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.869 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' CE1' ' OE2' ' A' ' 71' ' ' GLU . 1.8 m-70 -142.79 158.7 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -137.31 110.34 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 120.67 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.896 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 52.4 t -83.54 127.67 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 52.12 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 142.22 32.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.868 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.08 134.19 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.14 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.62 172.07 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.33 110.85 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.88 -68.84 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 52.33 112.51 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.13 -56.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.4 111.134 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.42 39.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 72.03 112.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -105.73 109.17 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 53.13 110.905 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -88.77 154.5 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 62.13 110.958 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -168.82 166.24 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.91 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.29 -94.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -74.24 -71.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.899 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.2 m -132.98 -31.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 71.45 111.133 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 134' ' ' TYR . 9.1 p -71.7 142.08 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -136.6 166.53 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.914 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HD2' HD12 ' A' ' 131' ' ' LEU . 89.2 m-85 -158.33 175.94 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.1 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.33 -45.62 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.929 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.8 p -107.58 156.58 18.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.818 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.9 -44.07 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 71.41 110.928 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -44.65 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -43.05 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 44.53 110.898 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 125' ' ' PHE . 2.3 tp -62.77 -55.22 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.898 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 87.8 t -48.54 -42.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.15 111.121 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.04 -59.66 4.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.876 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.464 ' CD2' HG21 ' A' ' 123' ' ' VAL . 10.6 t80 -49.36 -32.91 12.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -28.88 60.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -29.7 61.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 63.45 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -94.61 -14.56 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.9 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 73.0 m -119.26 150.92 39.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 42.32 111.134 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.7 p -45.19 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.8 t -128.44 -57.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.152 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.8 138.67 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 51.02 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -87.07 29.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.845 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.99 -48.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 54.24 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 -167.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.55 110.928 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -110.45 89.42 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -131.89 151.05 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.109 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -112.88 168.42 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -81.39 110.49 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.04 110.909 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -90.49 134.79 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.27 110.82 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.473 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.1 tt -52.82 143.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' GLN . 3.8 tt0 -81.54 91.73 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.898 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 152' ' ' GLU . 1.5 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.87 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CB ' ' CE2' ' A' ' 83' ' ' PHE . 2.6 p-90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -92.4 142.81 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 73.23 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 18.0 m-85 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.55 -103.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.52 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -113.45 103.04 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 71.34 110.864 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.57 134.76 16.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 73.23 111.135 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.65 58.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.44 112.381 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.4 ptp85 -41.16 -37.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -58.81 -56.46 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 61.22 111.09 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.02 -46.44 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.54 -54.01 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 44.22 111.071 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.58 -34.74 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.41 110.853 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.88 -39.34 61.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 70.33 110.896 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.0 mmt -65.98 -33.05 74.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 mt -81.05 -43.27 19.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 62.3 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.42 ' HA ' ' CD ' ' A' ' 100' ' ' LYS . 3.2 t -61.49 -42.94 99.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -24.16 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.839 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.6 mm-40 -65.46 167.07 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.886 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -102.29 -35.3 8.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.863 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.63 -173.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.841 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -131.7 112.58 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.01 25.02 4.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 61.25 112.469 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 135.58 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.51 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.853 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.8 p90 -111.1 149.47 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.876 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.1 tt -156.95 114.66 3.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.945 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.428 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 63.9 mt -90.43 119.78 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.05 111.178 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -110.8 152.2 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -105.46 129.1 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.03 110.913 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -63.29 138.91 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.884 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.16 -37.85 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.869 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 p -85.69 -11.21 54.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.798 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -128.49 94.82 34.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 74.1 111.127 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.8 Cg_endo -69.76 135.82 31.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 74.12 112.332 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.87 18.58 67.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 53.1 112.522 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.61 122.94 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 70.42 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.419 ' CD1' HD11 ' A' ' 128' ' ' LEU . 52.9 m-85 -109.19 137.39 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.844 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -139.92 128.87 23.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 61.44 110.841 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -92.07 137.77 32.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.783 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -125.59 110.86 14.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.856 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -109.03 144.44 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.113 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CD ' ' HA ' ' A' ' 75' ' ' SER . 6.1 ttpm? -96.41 129.93 43.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.925 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 26.2 m-85 -126.39 92.36 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.908 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 32.32 112.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.14 15.0 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 71.35 110.896 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.76 124.87 20.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.883 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.99 121.27 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 55.11 111.142 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.36 173.65 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.25 163.81 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.876 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.87 118.29 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.916 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.22 110.895 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.72 125.6 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 111' ' ' LEU . 1.9 mm? -89.52 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 145.89 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.877 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.25 -175.64 3.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.871 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.09 38.44 3.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 62.02 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.2 -44.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 71.43 111.09 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.75 30.3 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -117.44 151.98 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 64.23 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.67 150.18 47.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 2.5 p90 -171.27 -177.59 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.879 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -124.89 -96.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.908 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.43 1.76 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.911 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.82 -72.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 125' ' ' PHE . 12.5 p -81.12 152.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -157.85 147.76 20.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.922 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.574 ' HB2' HD12 ' A' ' 131' ' ' LEU . 48.2 m-85 -153.46 179.38 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.932 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.501 ' CG ' ' N ' ' A' ' 127' ' ' SER . 2.7 p30 -85.29 -52.38 5.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 126' ' ' ASN . 83.0 p -91.64 171.21 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.857 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 95' ' ' PHE . 13.0 mt -83.25 -43.63 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 70.13 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -40.76 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 1.6 mt-10 -62.87 -33.16 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.13 110.838 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 125' ' ' PHE . 3.6 mp -69.61 -62.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.4 m -49.97 -28.57 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -57.71 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.876 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.601 ' HB3' HD11 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -73.84 -38.7 64.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.838 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.411 ' CB ' ' HB2' ' A' ' 148' ' ' LEU . 36.3 ptt85 -75.98 -18.43 59.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.88 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.46 -15.13 19.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 33.42 110.876 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.44 152.27 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 73.15 111.101 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.5 p -40.36 159.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 51.5 t -139.38 -42.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.127 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.86 134.2 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.869 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -85.52 22.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -53.33 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 52.2 110.907 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.43 -169.67 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.54 96.54 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.78 150.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.149 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -113.29 165.98 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 135' ' ' HIS . 42.3 mt -81.75 109.71 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.1 110.935 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -76.85 134.1 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.4 104.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 84' ' ' LEU . 1.4 tt -61.69 145.34 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.119 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -103.5 107.13 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.943 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.512 ' HB3' HG22 ' A' ' 151' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 75.43 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.8 t80 -91.2 140.68 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.857 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 11.8 m-85 -131.09 136.66 48.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.893 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.52 -148.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 14.42 112.492 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.96 92.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 73.22 110.901 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.88 130.25 18.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 73.55 111.166 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.56 67.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 74.35 112.345 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -36.95 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.79 49.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.101 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -47.7 -45.22 28.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 61.45 110.912 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.094 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.611 ' HG2' HG11 ' A' ' 105' ' ' VAL . 68.0 mt-10 -52.65 -34.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -73.14 -34.32 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 151' ' ' ILE . 34.1 mmt -70.01 -30.57 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.88 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD11 ' OG ' ' A' ' 98' ' ' SER . 7.8 mt -87.29 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -60.77 -49.89 75.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.8 ptpt -49.66 -31.14 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.92 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' NE2' HG12 ' A' ' 151' ' ' ILE . 75.3 mm-40 -59.64 172.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.88 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -117.78 -28.45 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.11 110.888 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -71.27 -179.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.877 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.34 112.34 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.37 21.3 4.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.462 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -61.17 131.67 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 73.25 111.084 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.945 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.26 150.65 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.877 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -151.1 116.85 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.4 mt -91.45 130.73 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 54.44 111.118 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -121.44 151.75 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 88' ' ' SER . 31.2 tt0 -109.82 151.73 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.879 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.643 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.5 m -66.79 176.18 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.842 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.14 -37.62 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.96 -1.76 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.51 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -108.62 85.87 3.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.11 111.122 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.703 2.269 . . . . 74.51 112.34 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.38 -14.62 27.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 34.23 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.91 132.71 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 71.2 110.883 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD1' HD11 ' A' ' 128' ' ' LEU . 77.8 m-85 -128.41 143.57 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 120.37 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.9 tm? -89.67 133.33 34.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.597 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -119.65 111.48 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.615 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.32 152.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.14 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -104.24 131.45 51.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 63.53 110.927 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 31.1 m-85 -129.2 91.26 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.41 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.41 -113.72 5.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 53.44 112.515 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -106.88 25.11 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 73.34 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.58 121.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 62.55 110.811 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG11 ' HG2' ' A' ' 71' ' ' GLU . 74.5 t -90.24 109.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.124 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -95.35 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.542 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -150.17 170.17 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.25 110.823 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 107' ' ' HIS . 14.6 m-85 -144.42 123.35 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.5 110.891 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 108.51 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.36 130.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.113 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.0 mm? -98.94 143.3 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.953 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -139.85 134.95 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.881 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.74 173.99 12.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.18 -68.61 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 72.43 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -161.29 -53.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 72.34 111.057 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.77 32.66 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 53.41 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 127.8 45.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 75.21 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.71 ' HB2' HD13 ' A' ' 131' ' ' LEU . 6.7 m-85 -95.9 150.47 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.922 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 1.7 p90 -164.49 151.25 11.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 41.52 110.858 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.39 -81.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 74.03 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.593 ' C ' HG23 ' A' ' 122' ' ' VAL . 68.3 m95 -96.03 66.86 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 121' ' ' TRP . 3.1 t 79.66 -43.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.52 111.164 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 134' ' ' TYR . 1.4 p -63.45 136.38 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 54.34 111.134 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.5 ptmt -139.63 155.64 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -150.9 176.4 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.05 110.881 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.57 -39.63 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 44.13 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.1 172.65 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' A' ' 95' ' ' PHE . 8.7 mt -79.82 -54.94 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.33 -36.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.893 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.45 -45.06 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.14 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -65.63 -35.72 81.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.31 110.933 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.587 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 53.4 t -64.92 -49.36 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.51 111.12 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.65 -56.34 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 43.54 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.48 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.7 t80 -48.48 -48.58 37.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.942 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.579 ' HA ' HG22 ' A' ' 138' ' ' THR . 42.6 m-70 -66.9 -24.95 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.807 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -24.9 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -96.03 -23.96 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.865 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 135' ' ' HIS . 11.1 t -108.34 154.22 22.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 54.32 111.163 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.6 p -42.0 159.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.853 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 141' ' ' SER . 17.1 m -125.74 -46.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 55.53 111.118 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -94.56 144.01 25.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.848 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.66 29.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.66 -48.3 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.54 110.849 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.76 -171.95 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.928 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.67 99.79 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.951 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 147' ' ' PHE . 90.7 mt -134.33 158.94 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 71.41 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.53 ' N ' HG22 ' A' ' 146' ' ' ILE . 28.3 m-85 -117.09 156.61 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.9 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -78.28 111.59 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.926 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.67 140.37 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.31 110.858 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.26 115.98 16.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.864 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 74' ' ' LEU . 6.4 tt -64.77 151.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.15 111.087 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.81 81.19 8.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.849 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.79 0.329 . . . . 75.33 110.937 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.32 139.82 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 19.1 m-85 -129.06 132.17 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.22 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -92.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 74.03 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' HB3' ' A' ' 87' ' ' GLU . 2.2 mmtp -123.79 110.23 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 71.53 110.885 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -137.32 135.43 19.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 73.21 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.0 Cg_endo -69.75 144.71 54.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 55.53 112.366 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.0 mmm-85 -33.55 -46.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.83 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -48.13 -52.76 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -53.32 -55.16 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.081 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.51 -32.67 28.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 55.51 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.94 -42.62 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.49 -37.23 75.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 64.35 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 82' ' ' ALA . 11.3 mt -83.03 -40.42 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 72.01 110.928 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -60.85 -50.98 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 5.7 ptpt -48.68 -32.77 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 75.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 57.1 mm-40 -55.18 167.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.931 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -75.6 -166.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.852 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -130.57 114.98 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.55 25.71 3.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 64.51 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.08 114.44 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 74.51 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.822 ' HB2' HD21 ' A' ' 97' ' ' LEU . 11.4 p90 -104.4 138.36 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.92 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.926 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -147.84 115.23 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.23 110.898 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.6 mt -90.62 118.6 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.117 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -112.09 162.52 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.864 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 64' ' ' LYS . 15.1 tt0 -105.14 142.84 34.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.892 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.07 150.0 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.864 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.92 -39.43 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.849 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -87.65 -7.61 57.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.91 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.13 81.59 50.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 63.41 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.82 24.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 75.5 112.327 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.72 57.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.51 112.489 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 171.73 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.342 . . . . 73.42 110.833 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -143.99 139.19 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p -137.83 123.14 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -88.13 132.74 34.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.93 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.558 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.1 m -120.05 110.38 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 54.24 110.842 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -111.71 144.81 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 55.34 111.122 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -98.22 136.59 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.5 m-85 -135.29 93.93 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.41 -100.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 54.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.89 26.69 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.12 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -143.53 114.37 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.5 110.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 70.44 111.104 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -102.23 173.74 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.957 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 165.81 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 60.35 110.834 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 120' ' ' LEU . 6.7 m-85 -130.81 135.01 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.914 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -80.26 118.14 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.931 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.5 129.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.42 111.106 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.23 152.76 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.891 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.509 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 12.4 mtp-105 -141.38 144.13 34.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -179.15 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.9 26.24 6.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 64.34 112.486 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.04 -40.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 71.24 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.08 37.76 0.24 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 61.13 112.5 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER -115.08 125.12 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.738 0.304 . . . . 72.11 110.924 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 79.7 m-85 -90.44 148.53 22.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.901 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.56 142.16 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.4 110.857 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' A' ' 121' ' ' TRP . 6.5 tp -109.28 -70.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.941 ' CD1' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -179.44 -29.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.925 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 121' ' ' TRP . 12.4 m -108.4 -11.65 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 71.44 111.119 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 134' ' ' TYR . 2.6 p -155.62 150.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.143 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 150.02 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.925 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -152.78 175.3 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.8 -33.93 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 m -125.47 171.34 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.469 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 12.1 mt -73.72 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.426 ' HA ' ' CG2' ' A' ' 132' ' ' VAL . 7.0 p30 -37.76 -34.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.879 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.57 -45.27 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -51.3 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.919 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 129' ' ' ASN . 11.0 m -53.78 -41.25 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 55.24 111.132 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.5 OUTLIER -61.78 -65.68 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.86 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 123' ' ' VAL . 59.5 t80 -43.88 -49.25 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.962 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 1.6 m170 -66.57 -26.61 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.897 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -72.49 -23.52 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.54 110.889 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.7 p -102.91 -16.69 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 51.31 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 86.2 m -125.44 140.16 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 61.21 111.171 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.1 p -41.74 161.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.874 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 135' ' ' HIS . 47.6 t -141.95 -36.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.53 134.5 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.894 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.4 mtm105 -89.76 31.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -124.89 -56.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -123.77 -165.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.932 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -119.59 83.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.976 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 147' ' ' PHE . 3.6 mt -127.88 157.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.431 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.4 m-85 -113.55 158.36 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.32 110.871 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 63.3 mt -73.08 108.95 6.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.939 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -83.31 139.45 33.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.33 105.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.824 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.4 tt -58.8 146.31 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.107 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -86.94 78.12 9.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.857 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 74.42 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -89.98 144.11 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.54 110.864 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 3.8 m-85 -133.2 135.13 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 74.34 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.78 -98.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 74.14 112.501 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' ' CA ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -123.43 108.29 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 53.14 110.87 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -139.86 140.43 24.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 74.22 111.16 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.88 55.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 51.33 112.335 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.0 ptp180 -38.62 -36.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -60.56 -57.94 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.11 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -47.39 -42.41 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 63.34 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -60.27 -51.11 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.55 111.094 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.11 -34.46 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -71.88 -47.48 52.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.01 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.0 mmt -53.24 -32.22 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.1 mt -88.02 -45.45 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.923 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -53.37 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 52.2 110.893 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.64 -21.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.44 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.3 mm-40 -68.96 -177.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 71.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.09 -35.68 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -64.48 -178.48 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.886 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.16 114.88 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.903 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 149' ' ' ARG . . . 116.59 19.06 5.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 64.11 112.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.628 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -58.78 115.55 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.15 111.077 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.775 ' HB2' HD11 ' A' ' 97' ' ' LEU . 42.9 p90 -104.43 149.56 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.884 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -156.14 123.8 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.902 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.98 136.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.2 111.144 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 155.66 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 88' ' ' SER . 9.3 tt0 -124.08 151.62 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.898 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 4.5 m -71.15 175.46 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.861 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' CA ' ' HG2' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -104.01 -45.27 4.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.47 -8.2 23.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.876 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.434 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -111.43 92.44 16.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 73.44 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.25 27.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 74.43 112.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.43 -16.87 60.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -70.15 125.28 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 72.4 110.87 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CG ' HD11 ' A' ' 128' ' ' LEU . 28.3 m-85 -138.85 141.87 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 m -147.06 131.04 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 72.4 110.89 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.0 tp -88.06 154.87 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 55.33 110.946 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 76.5 p -141.69 107.49 5.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 60.01 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -107.17 145.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 73.55 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -93.72 122.66 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 54.01 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 99' ' ' VAL . 29.7 m-85 -123.68 96.09 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.897 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.13 -129.05 37.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 64.3 112.496 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.47 23.92 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 74.44 110.864 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.99 144.39 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.28 118.26 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.24 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -103.44 173.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -153.07 170.3 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.883 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CD2' HD23 ' A' ' 97' ' ' LEU . 23.9 m-85 -141.13 118.59 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 111.25 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 75.03 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.25 140.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.138 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.8 mm? -99.15 152.52 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.927 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -128.17 145.51 51.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.841 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -95.85 173.77 7.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.07 28.9 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 64.05 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.96 -38.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 53.12 111.112 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.69 33.86 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 41.55 112.511 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 150.23 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 74.22 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 131' ' ' LEU . 63.5 m-85 -114.67 140.3 48.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -152.43 173.06 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.841 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.29 -86.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 63.51 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -86.95 -75.29 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 122' ' ' VAL . 8.5 p -134.31 5.34 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.01 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.41 140.42 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.145 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 160.49 37.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.53 110.919 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.428 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 73.1 m-85 -156.38 -176.82 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 73.34 110.874 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -50.25 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.55 178.91 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 45.33 110.883 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 95' ' ' PHE . 69.6 mt -81.36 -32.84 32.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 61.03 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.508 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.0 OUTLIER -56.79 -41.0 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 55.2 110.846 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 2.5 mm-40 -62.0 -33.04 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -69.79 -63.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 71.35 110.928 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 25.6 m -47.05 -31.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 54.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -59.49 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 4.5 t80 -46.97 -38.98 11.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.947 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.632 ' NE2' HG23 ' A' ' 140' ' ' VAL . 1.2 m-70 -80.55 -24.0 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 71.55 110.829 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.21 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -96.33 -28.55 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.836 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.2 m -118.74 143.21 47.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.158 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -40.82 160.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 45.11 110.876 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.632 HG23 ' NE2' ' A' ' 135' ' ' HIS . 5.8 p -139.42 -35.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 75.44 111.136 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.62 135.5 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.859 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.48 33.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 62.34 110.852 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.29 -54.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 53.55 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.91 -178.31 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 61.5 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 145' ' ' GLN . 9.6 pt20 -101.54 84.44 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.943 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 147' ' ' PHE . 48.5 mt -130.45 154.69 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.45 111.153 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.8 m-85 -114.05 -177.18 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.91 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 140' ' ' VAL . 8.9 mt -90.01 108.96 20.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.939 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.7 mpt_? -81.03 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.16 106.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.893 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.9 tt -69.62 150.44 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.138 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -96.07 105.43 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 65.04 110.892 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.463 ' CG ' ' CE1' ' A' ' 83' ' ' PHE . 1.9 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 75.05 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -110.32 145.43 37.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 64.52 110.885 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 84' ' ' LEU . 13.9 m-85 -129.17 136.97 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.897 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.25 123.68 7.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 52.45 112.432 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 41.95 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.301 . . . . 72.52 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -150.37 134.87 9.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 60.43 111.136 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.72 58.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 62.14 112.349 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -44.73 -31.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.875 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.64 -52.6 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 61.2 111.113 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -54.53 -48.99 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -51.66 -57.14 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.12 111.107 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.14 -38.14 50.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.953 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.85 -41.57 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 36.7 mmt -60.77 -35.1 75.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.844 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.6 mt -80.22 -55.47 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.885 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -52.35 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 52.33 110.855 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 73' ' ' MET . 0.6 OUTLIER -46.25 -32.23 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' NE2' HG12 ' A' ' 151' ' ' ILE . 60.3 mm-40 -59.0 170.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 51.51 110.882 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -107.62 -31.61 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.05 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 61.53 110.85 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -129.47 122.77 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 61.31 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.98 21.74 7.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.494 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.75 127.34 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.01 ' HB2' HD21 ' A' ' 97' ' ' LEU . 28.0 p90 -106.9 148.39 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.878 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.5 tt -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.929 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' PHE . 43.4 mt -92.43 123.6 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.143 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -115.22 147.32 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.88 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -94.78 132.99 38.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.687 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -60.06 142.16 54.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 53.43 110.892 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.76 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.91 9.63 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 60.1 110.872 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -141.4 82.74 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 63.41 111.121 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 115.76 4.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 62.32 112.359 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.91 -14.49 12.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.489 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 125.62 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 72.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 128' ' ' LEU . 2.3 m-85 -105.28 147.37 28.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.16 119.84 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 55.03 110.857 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.01 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.3 tm? -88.98 137.11 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.799 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -124.73 109.81 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.84 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -106.44 137.3 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 72.44 111.195 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -86.67 127.94 34.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.544 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.2 m-85 -131.41 105.34 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 52.98 -116.31 5.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 65.45 112.496 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -103.2 19.7 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 53.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.12 126.34 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.851 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.98 112.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.18 173.62 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.33 164.69 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.902 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.27 126.16 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 116.82 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.03 110.878 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.057 HG22 HD11 ' A' ' 120' ' ' LEU . 87.8 t -90.73 137.89 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 53.15 111.1 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.8 mp -118.21 145.93 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 54.22 110.893 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -137.18 149.45 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.908 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -153.25 170.45 20.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.38 -70.67 2.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 55.43 112.47 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.6 -60.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.5 111.119 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.8 38.24 1.29 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.472 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -103.98 116.41 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 64.01 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 7.0 m-85 -97.36 158.1 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.876 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -166.39 155.26 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 64.03 110.89 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 1.057 HD11 HG22 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -148.4 -76.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 65.12 110.923 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.506 ' O ' ' C ' ' A' ' 122' ' ' VAL . 97.0 m95 -96.92 98.43 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.928 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 122' ' ' VAL . 3.4 m 28.9 41.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.161 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.642 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 9.7 p -154.07 152.19 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.118 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.575 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -131.79 170.82 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.913 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.713 ' CD1' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -156.56 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.904 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.81 -34.09 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 131' ' ' LEU . 75.4 p -132.17 169.31 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.45 110.89 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.883 HD11 ' CD2' ' A' ' 95' ' ' PHE . 13.3 mt -79.37 -44.71 20.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -36.57 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.75 -25.63 65.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.906 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -78.48 -56.52 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.933 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.6 m -54.85 -35.91 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 44.43 111.139 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -66.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -48.97 -31.62 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.911 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.425 ' HA ' HG22 ' A' ' 138' ' ' THR . 15.3 m80 -77.82 -27.89 50.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.826 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -73.71 -24.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.5 110.912 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 89.5 p -94.64 -26.69 16.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 52.53 110.84 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 135' ' ' HIS . 1.2 t -111.21 153.55 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.135 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -45.54 159.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.882 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 146' ' ' ILE . 16.6 m -140.4 -35.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 63.24 111.083 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 2.3 p -85.91 153.88 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.85 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.92 9.36 43.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.3 -38.99 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.55 110.897 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -134.21 -174.26 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -107.35 58.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 140' ' ' VAL . 56.4 mt -93.16 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.104 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.542 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.6 m-85 -121.63 170.25 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.869 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 83' ' ' PHE . 41.3 mt -81.96 108.85 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 60.35 110.947 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -78.7 137.63 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 53.12 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.02 115.18 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.838 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.448 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.57 130.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.15 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.23 94.24 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.903 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' N ' ' OE1' ' A' ' 153' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.838 0.351 . . . . 75.31 110.919 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.4 t80 -106.53 148.57 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.902 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 7.2 m-85 -133.26 140.46 47.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.869 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.03 127.38 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.506 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 44.72 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 72.43 110.927 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.78 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.7 pp -139.96 124.59 11.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.12 111.18 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.2 Cg_endo -69.81 143.69 51.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 74.21 112.314 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.4 mmm-85 -33.12 -46.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -53.11 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 54.34 111.126 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.7 tptt -50.99 -53.07 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 65' ' ' ILE . . . -57.29 -52.13 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 44.03 111.107 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -54.87 -32.26 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -74.61 -47.32 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.869 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.498 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 29.7 mmt -55.44 -36.13 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 65.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.5 -51.5 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 65.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -52.59 -38.64 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 74.24 110.848 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.2 ptpt -62.58 -28.9 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 70.42 110.913 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 73' ' ' MET . 37.7 mm-40 -60.73 168.44 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.11 110.968 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.4 -32.42 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.844 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -65.96 -172.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.876 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -128.02 111.55 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 60.32 110.86 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.97 23.31 3.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 32.23 112.463 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.05 126.55 28.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 74.24 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.881 ' HB2' HD11 ' A' ' 97' ' ' LEU . 34.5 p90 -112.5 148.22 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.855 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.9 tt -154.5 120.29 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 60.43 110.929 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.36 128.29 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 51.14 111.108 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.684 ' CD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.86 163.48 16.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.89 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -107.78 132.29 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -61.38 129.95 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.841 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 64' ' ' LYS . 6.8 pt-20 -70.18 -39.44 75.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.907 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 p -88.62 -10.33 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.1 93.27 30.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 55.33 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 125.38 12.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 73.14 112.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.22 30.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 53.53 112.495 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.83 122.44 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 73.01 110.87 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CG ' HD11 ' A' ' 128' ' ' LEU . 34.3 m-85 -102.47 141.37 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.0 p -142.35 120.89 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 70.22 110.889 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.2 tp -87.9 150.46 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 63.22 110.928 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.1 t -139.97 105.99 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.836 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.589 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -98.94 149.58 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.42 111.139 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -93.69 133.08 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.675 ' CE1' HD13 ' A' ' 146' ' ' ILE . 14.8 m-85 -134.08 94.35 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.18 -105.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 32.32 112.47 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 26.44 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 71.15 110.92 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -145.03 121.25 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.85 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.18 106.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.161 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -93.85 173.74 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.94 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.53 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.02 165.46 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.894 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -131.89 129.45 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.836 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -76.51 112.84 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 73.25 110.877 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 120' ' ' LEU . 76.3 t -82.5 130.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.131 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 mp -113.84 146.43 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.899 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -146.1 159.01 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.858 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -97.61 -176.2 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.11 34.73 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 71.32 112.459 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -130.25 -45.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 50.54 111.083 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.14 30.6 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 31.31 112.473 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.75 135.0 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 44.51 110.871 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 52.0 m-85 -101.22 159.53 15.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -171.25 151.75 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.902 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 1.052 HD13 HD21 ' A' ' 131' ' ' LEU . 5.6 mp -150.25 -79.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 62.42 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' VAL . 69.9 m95 -88.99 90.13 8.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.919 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' TRP . 21.9 m 34.03 33.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 73.52 111.126 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 121' ' ' TRP . 8.1 p -137.26 147.9 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.098 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.22 162.57 25.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.864 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 130' ' ' GLU . 3.1 m-85 -156.23 179.27 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 60.22 110.905 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -94.49 -34.05 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.929 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.28 -176.37 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.53 110.861 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.584 HD11 ' CG ' ' A' ' 95' ' ' PHE . 89.8 mt -74.7 -44.68 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.858 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -47.65 -48.63 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.899 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 125' ' ' PHE . 1.3 mm-40 -61.25 -23.27 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.858 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.052 HD21 HD13 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -79.1 -58.24 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.907 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 70.33 111.118 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.0 -59.64 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.899 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 1.1 t80 -42.29 -40.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.927 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.678 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -73.84 -38.28 64.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 50.23 110.87 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -56.5 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 72.32 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.95 -34.25 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.864 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.4 m -129.97 136.24 49.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 72.13 111.098 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 145' ' ' GLN . 60.6 p -67.79 158.96 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 51.34 110.86 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.591 HG22 ' NE2' ' A' ' 135' ' ' HIS . 6.2 m -131.93 -6.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.153 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.3 151.2 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 65.33 110.891 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -92.42 -3.21 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -90.82 -53.57 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 177.17 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.942 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 139' ' ' SER . 19.0 pt20 -105.91 52.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.903 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.675 HD13 ' CE1' ' A' ' 101' ' ' PHE . 4.5 mt -78.33 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.131 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.8 m-85 -118.29 152.27 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 54.13 110.928 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.678 HD21 ' CD2' ' A' ' 135' ' ' HIS . 19.2 mt -69.06 110.41 4.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -86.89 131.47 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 112.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.477 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.1 tt -68.05 147.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 63.52 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.21 87.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.4 ' OE1' ' N ' ' A' ' 60' ' ' TRP . 7.4 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.737 0.304 . . . . 73.54 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.2 t80 -127.62 152.16 48.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.879 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.822 ' CE1' HD12 ' A' ' 84' ' ' LEU . 12.6 m-85 -134.97 134.19 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.893 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.77 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.506 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -101.82 96.03 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.313 . . . . 62.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -136.41 138.93 28.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 62.1 111.123 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.3 64.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 51.24 112.359 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -45.04 -30.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.839 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -64.99 -52.79 54.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -46.17 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 52.11 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -53.03 -55.39 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 53.02 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' A' ' 105' ' ' VAL . 29.8 mt-10 -52.12 -34.3 43.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.35 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.18 -39.34 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.9 mmt -60.91 -35.52 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 82' ' ' ALA . 13.7 mt -83.82 -48.66 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.2 t -51.62 -39.96 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.866 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -63.39 -23.64 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' NE2' HG12 ' A' ' 151' ' ' ILE . 51.5 mm-40 -64.11 177.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -116.06 -37.14 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.589 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.27 -170.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.02 110.878 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -132.3 114.17 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.862 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.47 22.75 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 44.23 112.452 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 123.75 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 71.42 111.082 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -104.26 143.27 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.894 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.822 HD12 ' CE1' ' A' ' 62' ' ' PHE . 1.9 tt -155.85 113.86 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.3 mt -94.95 121.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -107.75 149.05 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.915 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -104.4 140.8 37.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.857 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -54.23 152.43 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.04 110.818 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.1 -58.02 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 72.55 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -105.64 21.77 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 54.15 110.862 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.857 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -131.89 79.69 67.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 64.13 111.066 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 73.44 112.37 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.23 -15.68 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.463 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -90.08 130.33 36.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 71.14 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 128' ' ' LEU . 69.1 m-85 -117.31 136.23 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.866 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -135.8 121.22 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 53.42 110.864 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 83' ' ' PHE . 28.6 tp -90.19 149.74 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -137.24 107.4 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.524 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.12 130.94 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.21 111.114 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -80.08 136.14 36.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 70.35 110.867 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 11.9 m-85 -132.8 100.44 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.899 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.17 -107.52 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 53.11 112.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.93 16.66 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.55 110.907 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -138.55 126.7 22.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 65.03 110.836 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 71' ' ' GLU . 46.9 t -83.31 131.85 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 63.22 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.64 173.28 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.932 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 159.64 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.03 110.846 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.75 131.35 46.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.896 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 112.4 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.34 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.4 t -86.42 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 64.45 111.181 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.31 147.99 32.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.44 110.852 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 130.89 46.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.03 110.871 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.33 172.89 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.8 -65.3 2.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 60.22 112.506 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 65.34 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.31 23.81 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 65.22 112.477 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -90.86 129.38 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 75.25 110.868 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 m-85 -101.45 135.58 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.876 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -144.01 170.13 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.885 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.48 -91.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.03 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -83.42 -70.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.929 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.83 2.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 53.15 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -105.84 143.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 158.59 43.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.951 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.512 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 52.5 m-85 -153.06 -177.24 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -95.68 -44.32 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 76.6 p -114.42 164.52 13.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.864 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' A' ' 95' ' ' PHE . 40.6 mt -71.96 -31.52 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.919 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.508 HD22 ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -53.38 -38.74 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.835 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 25.4 mm-40 -59.59 -23.74 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 55.15 110.93 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 118' ' ' TYR . 3.0 mp -85.27 -54.36 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 23.1 t -47.85 -40.81 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.17 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.28 -53.83 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 70.12 110.831 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -39.92 -40.51 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.953 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.472 ' CB ' HD13 ' A' ' 148' ' ' LEU . 8.9 m80 -82.86 -36.63 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 72.04 110.86 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -53.26 -21.58 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 61.53 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.4 -23.02 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 40.44 110.889 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.9 m -108.4 140.21 42.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 44.33 111.127 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.8 p -39.5 159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.7 t -132.59 -39.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 71.13 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 137.43 32.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 42.43 110.881 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 0.1 OUTLIER -85.29 -6.94 59.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 64.24 110.914 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.03 -44.06 7.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.23 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -131.66 179.01 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.43 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.13 99.82 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 147' ' ' PHE . 57.4 mt -127.45 153.28 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.34 111.12 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.0 m-85 -114.62 145.35 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.914 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 135' ' ' HIS . 0.2 OUTLIER -66.16 109.16 2.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -88.59 140.0 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.22 110.875 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.54 111.52 6.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.895 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -58.56 144.04 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.147 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 79' ' ' HIS . 1.4 mp0 -80.15 79.75 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.838 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.455 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 64.12 110.944 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.2 t80 -127.91 152.97 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.554 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 11.9 m-85 -139.37 143.4 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 61.22 110.846 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.05 116.38 5.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 35.24 112.485 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.84 96.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 71.1 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pp -147.36 130.87 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 74.3 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 145.1 56.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 62.3 112.372 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -33.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 65.21 110.911 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.16 67.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 71.04 111.112 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.89 67.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -52.1 -50.64 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.105 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.6 -35.62 61.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.09 -43.47 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.23 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.6 mmt -59.69 -32.6 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.59 -51.41 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.22 110.925 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -50.53 -41.71 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.822 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 2.6 ptpt -59.42 -31.11 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.867 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 50.2 mm-40 -56.78 171.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.25 110.91 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -106.9 -36.65 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.31 179.39 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 112.03 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.86 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.7 24.65 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 75.02 112.44 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 132.65 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 53.23 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 4.7 p90 -103.95 146.65 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.882 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -153.67 115.66 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.1 mt -99.54 124.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.142 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.431 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -113.08 148.08 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.867 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -105.92 154.85 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.909 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.811 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -70.99 158.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.858 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 -63.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 62.02 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -109.97 39.83 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.861 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.811 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -140.34 84.54 14.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 71.45 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.65 2.14 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 63.4 112.33 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.4 -24.4 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 64.21 112.511 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -73.96 119.58 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 72.22 110.87 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 128' ' ' LEU . 60.4 m-85 -119.59 137.04 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.917 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t -135.79 120.1 17.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.852 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 98' ' ' SER . 5.0 tp -88.01 149.27 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.463 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 t -139.02 105.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 148' ' ' LEU . 1.2 t -106.45 139.57 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -87.08 140.9 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.3 m-85 -136.28 101.01 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.87 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 54.7 -98.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -121.11 28.47 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 70.11 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.09 121.82 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 60.35 110.865 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.29 113.56 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.179 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -103.15 173.62 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.63 166.28 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.867 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.19 119.18 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.875 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 104.38 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.88 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 t -64.88 119.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 51.11 111.134 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -84.25 116.98 23.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.921 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.25 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.863 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.31 -179.91 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.842 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.77 35.45 2.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 55.31 112.478 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.58 -45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 70.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.79 33.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 43.25 112.453 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -116.44 154.13 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 73.21 110.888 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.415 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 62.3 m-85 -127.82 153.32 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.912 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 1.3 p90 -169.08 170.43 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 73.54 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.51 ' HB3' ' NE1' ' A' ' 121' ' ' TRP . 3.4 mt -122.7 -58.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 75.31 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -164.62 -33.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.93 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.1 32.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.25 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.8 138.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 65.15 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -138.74 149.38 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.5 m-85 -151.77 -179.88 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.852 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -38.1 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 65.54 110.927 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.29 159.96 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.889 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 95' ' ' PHE . 7.7 mt -65.54 -36.04 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.926 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.424 ' H ' ' ND2' ' A' ' 129' ' ' ASN . 9.5 m-80 -49.04 -43.47 40.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.882 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.533 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 1.8 mp0 -54.3 -28.19 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 63.11 110.855 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.3 mp -82.56 -44.62 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 78.6 t -59.15 -39.13 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 136' ' ' ARG . 34.1 t70 -76.49 -63.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -41.27 -40.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.606 ' CB ' HD11 ' A' ' 148' ' ' LEU . 22.0 m80 -78.31 -31.46 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.1 ttp85 -57.13 -29.83 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.11 110.893 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.8 p -103.19 -33.59 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 65.22 110.871 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' HIS . 46.2 m -104.07 137.6 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.106 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.8 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 60.5 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 148' ' ' LEU . 7.2 p -131.17 -6.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.141 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.2 p -110.27 146.0 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.903 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.0 28.18 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.809 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.99 -49.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 63.23 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -126.17 -178.58 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.51 94.01 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 mt -134.7 146.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 71.52 111.192 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.45 165.47 12.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.606 HD11 ' CB ' ' A' ' 135' ' ' HIS . 17.3 mt -78.7 108.32 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 10.9 mmt180 -77.47 138.89 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.8 tt -74.56 148.67 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.143 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.12 101.66 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 64.02 110.917 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.931 ' CZ2' HG21 ' A' ' 132' ' ' VAL . 1.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 75.44 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -126.42 151.99 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 71.4 110.822 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 15.1 m-85 -131.82 143.81 50.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.14 99.94 2.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 71.22 112.499 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 52.09 104.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 72.12 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.782 HD11 HD21 ' A' ' 84' ' ' LEU . 2.2 pt -146.61 136.71 12.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 53.13 111.117 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 69' ' ' LYS . 53.8 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 75.54 112.36 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.88 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -49.74 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 62.21 111.134 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -59.75 -48.06 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.928 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.19 -56.29 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.2 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.77 -34.7 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.873 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.29 -42.44 65.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.845 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -60.35 -29.27 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 82' ' ' ALA . 19.2 mt -86.16 -55.58 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.15 110.953 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -41.81 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -19.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 58.1 mm-40 -75.15 170.28 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.24 110.93 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -109.17 -28.81 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -70.94 -169.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 54.4 110.876 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.53 116.1 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.833 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.74 23.76 5.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.6 129.15 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 75.04 111.113 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.79 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -108.97 145.33 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.899 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.782 HD21 HD11 ' A' ' 65' ' ' ILE . 3.5 tt -149.89 113.61 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.618 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.3 mt -89.76 123.37 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.24 111.097 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 142.33 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 60.12 110.868 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -102.59 156.74 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.867 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 m -91.46 160.91 15.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.32 110.845 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -49.93 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 4.23 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 61.32 110.876 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.38 88.82 8.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 75.23 111.055 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 111.42 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 53.21 112.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.21 -15.35 9.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.93 121.75 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 74.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 128' ' ' LEU . 59.4 m-85 -117.38 143.71 45.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -142.64 122.96 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.1 tm? -94.59 135.51 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 64.33 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.788 ' N ' HD13 ' A' ' 97' ' ' LEU . 17.6 m -121.9 110.57 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.835 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.583 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.37 138.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 61.34 111.168 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -89.09 139.22 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 17.4 m-85 -137.94 92.42 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 54.21 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.67 -98.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 52.13 112.47 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -120.67 21.66 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 71.52 110.922 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -141.77 121.83 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.88 102.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 44.11 111.115 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -84.83 173.81 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.924 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -148.87 169.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.87 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.48 124.46 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.874 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 114.74 16.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.27 134.34 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.134 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.5 mm? -105.17 137.95 42.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.973 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 124.67 25.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.43 110.864 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.81 175.28 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.52 -61.59 2.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.447 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -177.91 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 63.22 111.119 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.12 17.68 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 73.13 112.491 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 124.14 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 65.13 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.522 ' HB2' HD11 ' A' ' 131' ' ' LEU . 77.3 m-85 -96.1 154.58 17.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 2.8 p90 -171.02 156.99 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.837 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 131' ' ' LEU . 4.4 mp -123.87 -94.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.919 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -76.43 -72.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 -33.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 70.04 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 125' ' ' PHE . 9.9 p -74.2 145.7 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.13 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 125' ' ' PHE . 7.6 pttt -138.7 167.31 22.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.917 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 5.5 m-85 -156.41 -176.58 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.885 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -92.01 -56.72 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -103.01 177.31 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.903 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' A' ' 131' ' ' LEU . 61.7 mt -81.34 -27.07 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -61.84 -25.64 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.889 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.27 -26.09 60.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 62.55 110.866 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -80.86 -46.63 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.879 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.931 HG21 ' CZ2' ' A' ' 60' ' ' TRP . 7.2 t -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.31 111.109 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -57.98 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.22 -60.22 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 55.42 110.951 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -57.66 -26.58 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.879 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.92 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.855 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.6 p -96.95 -20.39 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 42.33 110.827 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -119.74 153.02 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.159 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.8 p -39.96 160.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 135' ' ' HIS . 35.4 m -138.35 -43.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.181 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -85.28 138.02 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.874 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -87.78 31.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.88 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -52.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.859 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.17 -165.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 62.43 110.941 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.93 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 147' ' ' PHE . 28.0 mt -130.61 157.85 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 65.41 111.157 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 146' ' ' ILE . 21.8 m-85 -121.72 169.65 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 135' ' ' HIS . 22.4 mt -81.97 108.77 15.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 63.42 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.99 128.89 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -57.14 103.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.2 tt -60.64 151.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.138 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 87.07 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.886 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.599 ' HB3' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 74.42 110.918 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 1.4 t80 -94.05 150.68 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD1' HD11 ' A' ' 84' ' ' LEU . 4.7 m-85 -132.3 145.21 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -96.82 119.32 6.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 43.12 112.508 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.5 mtmt 36.14 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 32.24 110.866 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.546 HD11 HD21 ' A' ' 84' ' ' LEU . 1.9 pt -136.99 135.15 19.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 63.23 111.104 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.1 Cg_endo -69.75 142.41 47.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 43.53 112.347 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.1 mtp180 -34.05 -46.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -51.97 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -49.59 64.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 42.45 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.54 43.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.075 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CB ' HG21 ' A' ' 105' ' ' VAL . 45.7 mt-10 -53.6 -30.97 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 60.11 110.921 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.14 -45.67 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 63.12 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 31.0 mmt -55.9 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.31 -41.1 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -57.59 -47.64 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.802 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -56.39 -26.37 52.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 62.4 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' NE2' HG12 ' A' ' 151' ' ' ILE . 44.9 mm-40 -60.46 163.6 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.871 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -104.49 -30.51 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.03 -176.06 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.912 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.95 108.47 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.835 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.14 21.31 2.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 53.02 112.509 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.52 134.64 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 51.22 111.032 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.885 ' HB2' HD21 ' A' ' 97' ' ' LEU . 16.3 p90 -112.54 142.23 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.0 tt -143.93 120.75 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.938 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.57 118.57 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -106.76 145.78 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.903 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 88' ' ' SER . 5.5 tt0 -100.4 147.9 25.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.915 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.673 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -76.45 168.63 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 44.03 110.844 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -58.25 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 15.83 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.877 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.57 89.22 51.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 51.1 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.86 15.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 63.02 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.38 9.27 73.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 62.2 112.466 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.33 123.94 42.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 74.52 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 19.9 m-85 -121.6 144.03 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.926 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 t -139.24 123.42 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.44 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.885 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -95.3 139.0 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 73.54 110.916 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.849 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -128.75 111.36 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 70.03 110.886 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -108.22 140.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 74.54 111.137 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -88.1 136.68 32.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 54.44 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.6 m-85 -136.4 92.74 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 64.04 110.897 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.74 -108.01 2.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 62.21 112.517 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -110.22 24.82 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 73.34 110.885 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -144.19 135.15 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 53.15 110.864 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 71' ' ' GLU . 61.3 t -101.75 100.22 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -84.91 173.49 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -153.89 168.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.883 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -141.95 120.6 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.89 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 116.68 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.917 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 120' ' ' LEU . 56.1 t -73.61 138.3 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 62.31 111.174 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -104.25 136.03 44.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.937 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -121.64 173.31 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.831 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.55 176.85 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.871 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.96 24.13 5.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.436 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.27 -37.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 74.13 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.85 36.23 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 53.43 112.487 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.35 160.02 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 70.34 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -119.18 153.68 34.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -168.65 160.58 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 71.54 110.864 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -152.88 135.79 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 72.44 110.901 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 67.0 m95 61.8 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -140.46 -48.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.149 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.9 p -47.78 153.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 70.01 111.174 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 8.6 mtmm -142.51 141.44 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 28.6 m-85 -153.4 172.27 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.927 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -94.09 -42.87 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.853 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.9 176.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.3 110.9 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.787 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 78.0 mt -82.65 -39.99 21.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -50.52 -33.71 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.23 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -69.63 -37.2 76.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 44.25 110.928 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -68.52 -55.78 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.903 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 34.6 m -52.36 -39.38 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.31 111.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -65.41 -62.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -44.82 -44.12 9.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.475 ' CD2' HG22 ' A' ' 140' ' ' VAL . 17.9 m80 -75.56 -22.17 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.836 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' ASP . 32.8 ttt-85 -68.12 -31.0 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.851 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.7 p -97.34 -26.12 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 97.6 m -109.12 134.24 51.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.53 111.132 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.0 p -41.16 162.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 51.43 110.839 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 135' ' ' HIS . 94.0 t -136.02 -35.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 73.1 111.113 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -84.97 135.66 33.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.848 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.49 25.89 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.91 -43.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.868 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 170.27 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.893 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 83.04 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 147' ' ' PHE . 41.2 mt -128.4 157.26 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.494 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.1 m-85 -117.23 172.07 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.866 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 99' ' ' VAL . 71.7 mt -85.11 110.49 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 53.12 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.52 137.27 34.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.01 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 105.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.863 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 60' ' ' TRP . 1.3 tt -60.56 148.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 65.11 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.39 103.53 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.871 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.33 110.946 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 13.9 p-90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.312 . . . . 71.51 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -90.7 145.58 24.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 64.32 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 84' ' ' LEU . 21.9 m-85 -129.94 128.69 42.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.37 -93.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.452 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.26 109.05 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 73.51 110.922 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -146.8 138.74 13.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 74.14 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.65 51.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 74.14 112.372 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -39.42 -36.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.95 -59.03 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 61.05 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -41.94 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.845 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -59.07 -53.05 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.104 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 105' ' ' VAL . 91.6 mt-10 -49.71 -36.55 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.849 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.73 -41.44 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.866 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.3 mmt -62.91 -32.33 73.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.2 110.869 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 84' ' ' LEU . 11.6 mt -82.51 -47.93 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -55.42 -46.75 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.851 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -52.92 -23.11 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.901 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.8 mm-40 -68.27 171.2 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -111.68 -29.32 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.17 -176.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.855 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -127.38 116.32 20.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.47 25.77 3.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 34.55 112.481 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.33 123.6 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 62.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.444 ' HB2' HD11 ' A' ' 97' ' ' LEU . 5.8 p90 -106.88 135.78 47.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.857 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -148.53 120.09 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.53 110.896 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.5 mt -98.1 119.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.145 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -114.34 142.15 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.838 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.49 160.12 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 70.31 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -72.3 147.9 45.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.846 -179.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.95 -68.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 55.32 110.898 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -101.29 33.99 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.897 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -143.91 88.85 7.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 65.43 111.089 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 54.1 Cg_endo -69.77 123.91 10.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.282 . . . . 72.31 112.321 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.05 -21.59 31.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 54.12 112.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.35 110.33 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 64.35 110.872 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.9 m-85 -101.64 139.03 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.03 110.929 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.2 p -139.88 119.86 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.04 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 83' ' ' PHE . 40.2 tp -88.9 151.19 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 t -139.94 106.48 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.864 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -104.59 136.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.44 111.124 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 61.42 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.7 m-85 -113.06 93.2 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.921 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.44 -124.11 24.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 73.12 112.447 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -97.52 28.46 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 54.11 110.924 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 125.89 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 60.5 110.87 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 71' ' ' GLU . 95.1 t -90.68 113.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -95.96 172.41 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 64.05 110.952 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -147.81 171.53 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.891 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -147.85 118.1 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.54 110.908 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 122.83 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.915 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 111' ' ' LEU . 26.0 t -86.66 140.75 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.15 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 110' ' ' VAL . 1.5 mm? -118.04 138.61 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.931 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -136.17 157.17 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.877 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.41 -176.9 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.854 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.06 36.55 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 51.43 112.46 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.57 -39.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 63.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 29.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.715 -0.755 . . . . 65.5 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -111.25 122.17 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.43 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.0 m-85 -91.66 153.53 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.89 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -168.22 170.62 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.863 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.32 -88.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -85.01 -71.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.962 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.36 -29.4 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.107 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.3 p -75.49 149.88 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.05 111.127 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.1 pttp -143.69 166.13 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 61.33 110.896 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 131' ' ' LEU . 40.5 m-85 -155.12 177.17 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 74.24 110.895 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -87.38 -41.65 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 154.06 49.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 42.23 110.838 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 131' ' ' LEU . 17.8 mt -59.06 -27.09 65.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.893 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.97 -34.54 60.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -65.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.22 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -48.41 -33.56 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.93 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 128' ' ' LEU . 22.4 t -64.32 -63.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 51.01 111.12 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -54.84 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.863 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.19 -50.72 36.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 70.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.674 ' HB3' HD11 ' A' ' 148' ' ' LEU . 2.1 m-70 -64.66 -18.88 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.88 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.14 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 61.21 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.7 p -104.86 -5.13 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 72.3 110.865 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 m -131.12 148.74 52.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 65.11 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 p -43.7 161.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.416 HG12 ' ND1' ' A' ' 135' ' ' HIS . 35.9 m -141.16 -37.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 55.02 111.145 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.8 t -88.75 142.54 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.889 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -88.33 26.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 60.14 110.899 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -130.06 -49.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -125.29 -177.64 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -107.34 61.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 38.0 mt -96.78 147.89 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 62.51 111.102 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -113.18 167.47 10.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.882 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 135' ' ' HIS . 40.2 mt -80.29 108.85 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.891 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -78.9 131.89 36.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.874 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 112.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 84' ' ' LEU . 2.1 tt -71.89 139.48 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 61.22 111.097 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 4.0 tt0 -81.22 80.82 7.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.936 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.476 ' N ' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 63.32 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.99 152.83 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CD1' HD11 ' A' ' 84' ' ' LEU . 2.3 m-85 -137.59 124.07 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.67 -93.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.467 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -131.84 103.56 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 72.34 110.899 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.88 140.19 35.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.633 0.73 . . . . 71.21 111.131 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.81 141.22 44.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 54.5 112.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' HH21 ' A' ' 86' ' ' ARG . 1.8 ptm180 -33.39 -43.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.19 -59.19 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.121 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -46.3 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.0 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 52.01 111.108 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.707 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -59.54 -28.63 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.827 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.08 -44.4 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 62.21 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.1 mmt -59.33 -38.48 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.875 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 151' ' ' ILE . 6.4 mt -81.5 -40.41 23.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 73.54 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -58.96 -42.34 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -25.08 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -58.97 169.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 64.22 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.07 -22.65 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.889 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -82.38 -164.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.882 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.29 117.64 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.42 22.29 6.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 52.14 112.497 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.51 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.01 128.9 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 53.2 111.062 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.757 ' HB2' HD21 ' A' ' 97' ' ' LEU . 1.3 p90 -106.82 146.51 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.891 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -154.04 114.08 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.3 mt -92.48 114.06 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.136 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.503 HH21 ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -109.12 152.56 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.24 110.865 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.78 142.72 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 5.6 m -72.21 161.78 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 61.11 110.888 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -37.4 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.858 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.25 3.68 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.879 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.77 95.31 35.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.7 . . . . 73.15 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.9 Cg_endo -69.77 146.54 60.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 72.44 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . 62.39 24.88 66.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 74.24 112.462 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.44 121.72 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.42 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -115.21 140.05 49.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.895 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -138.57 120.22 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.795 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.769 ' C ' HD13 ' A' ' 97' ' ' LEU . 1.9 tm? -88.62 137.09 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 75.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.654 ' N ' HD13 ' A' ' 97' ' ' LEU . 7.5 m -121.14 106.76 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 61.21 110.862 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.584 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -108.53 137.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 73.31 111.12 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -85.73 139.97 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.584 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 29.0 m-85 -136.2 92.81 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 61.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.89 -115.99 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.765 . . . . 71.32 112.522 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.33 6.61 44.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 73.03 110.912 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.34 131.83 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.21 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.707 HG11 ' OE1' ' A' ' 71' ' ' GLU . 92.9 t -99.48 137.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.11 111.143 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -117.36 173.53 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.436 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 6.6 m80 -137.52 171.94 13.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.22 110.859 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -144.22 119.32 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 115.12 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.879 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.57 128.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.52 111.157 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 119' ' ' PHE . 3.9 mm? -92.95 137.52 32.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -132.29 132.92 43.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.84 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.81 171.6 19.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 43.34 110.853 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.602 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 80.75 -46.16 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 73.53 112.52 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 167.73 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 70.12 111.117 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.41 19.86 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 72.53 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -92.09 133.4 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 70.02 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.462 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 9.2 m-85 -101.43 161.36 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 71.24 110.921 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 8.9 p90 -171.4 159.77 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -159.99 160.91 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.01 110.919 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.418 ' HD1' HD23 ' A' ' 120' ' ' LEU . 98.5 m95 40.28 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 120' ' ' LEU . 13.8 t -141.17 69.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 p -179.8 152.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.164 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 156.42 45.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.891 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.458 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.2 m-85 -156.41 179.29 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.884 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.408 HD22 ' N ' ' A' ' 126' ' ' ASN . 1.8 m-80 -97.75 -43.5 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.61 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.876 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 95' ' ' PHE . 15.3 mt -67.9 -34.73 77.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.939 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.28 -39.56 60.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.928 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -58.08 -27.4 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 70.11 110.908 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.68 HD21 HD12 ' A' ' 120' ' ' LEU . 7.5 mp -80.44 -44.4 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 61.04 110.938 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 83' ' ' PHE . 18.7 t -57.47 -49.49 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 55.21 111.119 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.85 -54.13 30.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 43.14 110.863 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.444 ' HE1' HG21 ' A' ' 138' ' ' THR . 7.0 t80 -45.74 -53.16 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.915 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.53 ' HA ' HG22 ' A' ' 138' ' ' THR . 40.4 m80 -66.54 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.808 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.856 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.0 t -99.7 -28.0 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 70.13 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 135' ' ' HIS . 3.9 t -108.56 154.18 22.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.094 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.6 t -46.37 167.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.437 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 35.3 m -132.72 -37.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 70.51 111.161 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 40.9 p -94.78 163.06 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.855 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -102.47 21.62 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.864 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -128.01 -48.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -179.88 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.924 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -100.32 76.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.92 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 147' ' ' PHE . 34.7 mt -99.81 158.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.0 m-85 -130.27 165.46 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.506 HD22 ' CG2' ' A' ' 99' ' ' VAL . 13.0 mt -75.15 109.11 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 61.33 110.888 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -86.24 143.99 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -57.4 124.97 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -101.5 149.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.105 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 151' ' ' ILE . 0.1 OUTLIER -59.69 103.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.886 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.918 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 65.24 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -94.28 138.12 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.626 ' CE1' HD12 ' A' ' 84' ' ' LEU . 14.7 m-85 -125.15 131.73 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.871 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -49.1 -91.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 73.12 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 101.42 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.696 0.284 . . . . 74.32 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.748 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pt -129.12 137.22 30.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 71.34 111.126 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.73 145.17 56.49 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.282 . . . . 74.0 112.31 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.3 ptm180 -36.23 -45.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 73.31 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -54.56 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.35 111.076 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -49.79 -38.02 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 53.54 110.94 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.26 94.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 31.12 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 1.6 mt-10 -68.44 -25.06 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.906 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.95 -40.55 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.21 -36.29 83.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.909 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 82' ' ' ALA . 15.3 mt -85.66 -47.32 9.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 54.14 110.919 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 29.6 t -51.32 -44.72 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 43.22 110.851 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -58.89 -26.53 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 62.03 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 151' ' ' ILE . 54.1 mm-40 -61.41 164.46 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -105.39 -30.28 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 54.22 110.875 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.78 177.27 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.825 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.91 107.96 12.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 65.43 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.7 16.73 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 63.11 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.554 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 124.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.22 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.819 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.5 p90 -106.9 150.7 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.837 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.923 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -159.91 113.79 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.93 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.4 mt -88.12 129.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.12 144.65 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.6 139.3 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 157.31 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.868 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.85 -49.47 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.856 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -10.77 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.863 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -123.47 89.76 50.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.555 0.693 . . . . 74.3 111.074 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.76 124.69 11.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.14 112.327 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.1 7.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.479 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.68 128.46 36.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 64.31 110.859 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 46.1 m-85 -106.92 142.76 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.2 t -138.79 115.16 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 53.2 110.884 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -88.21 128.07 35.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.24 110.929 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.521 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -114.01 110.13 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.618 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.51 127.69 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 72.3 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 29.0 tttm -85.2 116.43 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.618 ' CE2' HG11 ' A' ' 99' ' ' VAL . 9.4 m-85 -114.61 96.64 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.36 -121.25 26.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 42.13 112.493 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.69 22.68 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.44 110.842 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.3 110.74 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 71.52 110.892 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.504 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.07 120.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.11 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 2.1 mm-40 -101.78 173.83 6.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -143.66 164.19 31.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.838 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -135.14 128.46 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 116.95 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.17 119.2 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.113 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 111' ' ' LEU . 3.0 mm? -89.93 143.56 26.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.911 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -136.9 174.36 10.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.887 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.13 -167.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.849 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.73 31.29 6.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 60.05 112.473 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.06 10.14 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.01 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.39 36.14 50.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 71.01 112.514 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.336 . . . . 64.2 110.857 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -114.47 155.21 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.1 OUTLIER -171.39 163.33 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.853 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.8 -88.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 60.3 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -78.1 -145.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.863 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 122' ' ' VAL . 33.8 m -76.29 46.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 5.1 p -163.06 152.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 52.15 111.14 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.455 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -126.2 175.45 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.825 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.69 ' HB2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -155.3 168.65 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.887 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.87 -42.53 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.868 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.2 t -127.55 167.06 16.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.41 110.83 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 70.2 mt -70.8 -56.6 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -40.63 -35.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.892 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.05 -43.03 99.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.14 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 125' ' ' PHE . 5.3 mp -66.04 -49.52 67.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.928 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.528 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 82.7 t -53.08 -42.11 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.093 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.46 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.32 -23.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.929 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 148' ' ' LEU . 19.8 m170 -79.15 -35.25 42.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 51.35 110.849 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -21.81 51.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 43.33 110.878 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 t -89.08 -30.45 18.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.2 m -123.04 147.84 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 62.14 111.164 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 79.1 p -41.75 159.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 50.13 110.832 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.9 -35.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.129 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 p -84.73 141.24 30.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.872 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 21.75 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.53 -54.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 54.14 110.869 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.51 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.23 110.909 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -109.67 88.57 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.33 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 147' ' ' PHE . 18.7 mt -131.09 163.9 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.112 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.557 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.4 m-85 -122.85 173.74 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 135' ' ' HIS . 57.0 mt -84.03 109.2 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 53.13 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -79.95 138.45 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.53 110.851 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.09 110.34 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.866 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -68.39 143.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.133 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.51 84.65 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.897 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.943 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.887 ' CZ2' HG11 ' A' ' 132' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 74.02 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -123.68 151.06 43.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 84' ' ' LEU . 15.3 m-85 -133.8 139.27 46.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.872 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.53 112.64 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 31.43 112.528 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 2.3 mppt? 44.63 96.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 73.43 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.5 pp -145.24 136.27 12.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 64.3 111.112 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.4 45.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 70.24 112.348 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -35.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.905 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.83 80.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 45.35 111.04 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -45.15 87.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 74.35 110.867 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -55.04 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 74.54 111.069 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.25 -36.04 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.885 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.34 -47.41 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.827 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 76' ' ' LYS . 36.4 mmt -54.26 -34.0 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 62.42 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 82' ' ' ALA . 8.6 mt -83.26 -50.28 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 71.24 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -50.09 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 73' ' ' MET . 2.0 ptpt -48.09 -29.19 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.901 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 40.9 mm-40 -66.28 -179.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.943 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -128.15 -33.31 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.1 110.909 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.98 -169.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.825 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -127.89 124.92 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 149' ' ' ARG . . . 112.38 19.69 6.97 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 71.22 112.512 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.02 106.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 72.22 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -104.33 150.91 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.916 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.9 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -157.45 126.95 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 62.05 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.83 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 56.6 mt -101.13 129.13 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.163 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -113.67 154.35 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.866 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.15 147.34 44.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -62.33 176.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.857 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -100.81 -36.8 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.21 110.904 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.54 14.07 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.84 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -125.37 94.67 42.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 74.33 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.79 130.68 19.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 75.31 112.363 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.0 -1.44 67.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 51.55 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.0 109.01 18.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 61.34 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.709 ' CG ' HD11 ' A' ' 128' ' ' LEU . 72.5 m-85 -117.96 137.62 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.22 110.924 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t -135.0 124.06 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 98' ' ' SER . 3.2 tm? -87.99 138.0 31.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.816 ' N ' HD13 ' A' ' 97' ' ' LEU . 14.5 m -129.49 108.39 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.869 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.594 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -111.74 147.82 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 72.14 111.11 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.17 123.53 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.889 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.594 ' CE2' HG11 ' A' ' 99' ' ' VAL . 12.5 m-85 -129.09 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 63.34 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -126.51 19.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 55.1 112.448 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.03 25.7 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.36 . . . . 74.11 110.909 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -147.69 126.67 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.63 113.38 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 64.35 111.148 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -94.38 173.16 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.25 168.42 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.828 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -144.93 115.59 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.1 110.67 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.869 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.493 ' C ' HD22 ' A' ' 111' ' ' LEU . 57.4 t -76.04 131.39 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.131 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 110' ' ' VAL . 3.0 mm? -109.8 151.47 26.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -150.68 158.34 44.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.897 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.34 172.03 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.98 34.76 2.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 73.43 112.517 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.69 -39.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 63.3 111.075 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.32 32.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 35.23 112.429 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.62 134.38 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 73.51 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HH ' ' HE2' ' A' ' 95' ' ' PHE . 87.7 m-85 -104.39 158.21 16.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -171.08 167.88 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.54 110.913 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.76 -77.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.582 ' CZ2' ' HD2' ' A' ' 142' ' ' ARG . 95.7 m95 -97.59 -67.5 0.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.922 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.26 -31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 53.41 111.104 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 148.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 71.2 111.163 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -138.04 172.91 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.895 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -158.0 170.78 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.35 110.866 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.17 -55.08 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.92 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -111.54 157.96 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.81 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.709 HD11 ' CG ' ' A' ' 95' ' ' PHE . 70.3 mt -62.58 -23.76 67.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 75.11 110.956 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.418 ' O ' HG22 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -58.82 -34.96 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 62.01 110.875 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.1 OUTLIER -66.2 -22.57 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.898 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -56.59 4.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.921 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.887 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 21.7 m -49.39 -42.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.126 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ARG . 18.6 t70 -76.46 -62.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.899 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 130' ' ' GLU . 20.1 t80 -37.18 -45.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.949 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' A' ' 148' ' ' LEU . 83.4 m-70 -80.5 -30.97 37.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.824 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 133' ' ' ASP . 13.9 ttm180 -54.97 -28.84 54.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.871 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -113.35 -19.7 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.903 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.3 m -112.38 142.17 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 63.41 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -44.16 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.7 p -163.64 -35.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.3 t -85.76 126.08 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 63.15 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -81.09 -1.03 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 70.13 110.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -54.85 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.885 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.18 -172.99 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 53.23 110.878 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.67 72.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 101' ' ' PHE . 85.3 mt -119.5 151.96 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.183 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -112.86 170.91 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.937 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 135' ' ' HIS . 15.7 mt -78.81 108.61 12.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.931 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.412 ' HB3' ' C ' ' A' ' 81' ' ' GLY . 4.8 tpt180 -90.68 113.75 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.71 117.88 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 72.12 110.851 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.5 tt -68.45 152.76 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.01 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.46 103.93 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.843 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 65.13 110.912 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.473 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 4.5 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 75.42 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.0 t80 -86.67 148.19 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.913 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 12.0 m-85 -142.69 135.9 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.44 -121.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 64.4 112.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -91.48 109.12 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 72.02 110.889 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 84' ' ' LEU . 1.1 pt -145.0 135.69 12.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 61.22 111.139 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.34 60.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.676 2.251 . . . . 74.24 112.332 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -42.8 -33.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.4 110.874 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -58.14 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.068 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.92 30.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.928 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.32 32.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 62.34 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 105' ' ' VAL . 62.8 mt-10 -47.44 -37.47 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.02 110.931 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.35 -38.72 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.81 -37.44 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 151' ' ' ILE . 7.8 mt -79.63 -48.93 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.957 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 p -57.11 -43.36 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -55.34 -23.78 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 75.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 78.3 mm-40 -61.69 -173.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.04 -29.63 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.53 110.848 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -81.19 -170.73 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.857 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -127.74 119.11 25.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 60.33 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.29 19.17 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.43 112.509 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -60.59 125.12 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 72.33 111.083 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.007 ' HB2' HD21 ' A' ' 97' ' ' LEU . 38.4 p90 -110.29 148.89 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.91 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.3 tt -151.84 117.38 5.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 53.52 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.473 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 62.7 mt -94.74 124.01 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.14 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 149.25 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.35 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -112.55 147.85 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.732 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.1 m -63.24 175.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.869 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' CB ' ' HG2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -95.19 -56.46 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.902 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 0.4 OUTLIER -104.0 2.85 32.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 60.15 110.839 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.732 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -107.18 82.56 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 62.41 111.082 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 70.32 112.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.4 10.04 30.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 64.05 112.453 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -103.65 143.8 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 71.23 110.858 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CG ' HD11 ' A' ' 128' ' ' LEU . 38.7 m-85 -142.86 137.23 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 p -139.15 121.33 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.007 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.2 tm? -89.86 135.97 33.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.904 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.769 ' N ' HD13 ' A' ' 97' ' ' LEU . 8.9 t -125.58 108.89 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.8 150.42 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.11 111.143 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -99.28 122.11 42.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.913 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 14.0 m-85 -123.13 97.22 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.69 -122.49 17.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.479 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 21.45 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 73.12 110.909 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -141.59 133.88 27.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 51.54 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.445 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 60.5 t -95.02 106.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 70.53 111.149 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.39 173.6 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' HBC2 ' A' ' 174' ' ' DTF . 2.1 p-80 -157.91 164.51 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.84 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -143.14 114.46 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -62.48 122.59 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 33.13 110.921 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.7 t -89.53 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 62.21 111.122 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.497 ' HG ' ' CAS' ' A' ' 174' ' ' DTF . 2.5 mm? -109.39 179.52 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.884 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.79 156.31 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.842 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -152.46 146.92 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.869 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.48 -56.84 1.99 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.34 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 64.13 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.491 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -131.96 -23.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 34.42 112.508 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.91 125.26 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 74.21 110.864 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -110.55 169.49 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.946 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -171.38 176.59 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 64.12 110.87 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 131' ' ' LEU . 5.4 mp -125.85 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.24 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.411 ' CH2' ' CB ' ' A' ' 174' ' ' DTF . 7.4 m95 -111.53 -67.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.952 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.1 m -130.08 -4.23 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.099 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 9.9 p -100.36 138.01 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.129 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -142.19 158.73 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.45 110.896 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.43 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.4 m-85 -153.13 176.38 11.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.32 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -84.25 -46.51 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 64.52 110.85 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.0 t -114.42 157.18 23.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.694 HD11 ' CG ' ' A' ' 95' ' ' PHE . 13.1 mt -64.92 -27.12 68.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 62.41 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -35.0 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.869 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 3.2 mm-40 -67.8 -27.58 66.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 120' ' ' LEU . 4.3 mp -74.01 -55.41 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.926 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.5 m -56.2 -36.44 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.13 111.11 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -56.97 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.86 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -47.21 -44.69 22.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -77.14 -24.39 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -25.28 66.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.871 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -108.53 -25.56 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.915 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 48.7 m -113.35 145.04 41.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 70.43 111.171 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -42.01 160.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.844 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -142.77 -36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 60.42 111.119 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.62 149.54 25.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.31 25.11 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.875 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.45 -49.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.5 110.893 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 -178.46 4.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.15 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.9 87.0 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.32 110.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.5 mt -131.24 151.8 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.14 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.59 169.25 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 16.4 mt -79.54 108.97 13.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -82.41 133.14 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.2 111.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 61.22 110.853 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 74' ' ' LEU . 4.7 tt -71.24 143.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.53 111.152 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 2.0 tt0 -75.29 78.83 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.483 ' NE2' HG12 ' A' ' 154' ' ' VAL . 2.0 tm0? -43.8 163.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 70.34 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.519 HG23 ' HD2' ' A' ' 155' ' ' PRO . 5.9 p -47.68 135.0 10.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 65.13 111.132 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.519 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.6 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 62.34 112.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -113.21 104.28 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.98 80.97 5.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 72.05 110.924 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 160.48 49.56 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 72.44 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 74.31 111.186 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.498 HBC2 ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.739 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 5.3 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.05 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -84.55 144.26 28.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 14.1 m-85 -135.64 140.49 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.42 110.891 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.36 -140.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.767 . . . . 62.44 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.5 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 73.04 110.9 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -129.38 133.15 24.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 75.22 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.72 69.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 74.15 112.326 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' NH1' ' NE2' ' A' ' 107' ' ' HIS . 26.3 ttm-85 -45.37 -42.86 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.892 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.27 -51.82 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 42.14 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.15 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 62.21 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.51 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 62.24 111.106 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.598 ' HG2' HG11 ' A' ' 105' ' ' VAL . 50.6 mt-10 -57.43 -26.28 60.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.916 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -80.61 -44.4 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.61 -31.48 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.7 mt -86.31 -45.98 10.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -56.57 -50.92 70.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 62.45 110.857 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -48.02 -29.83 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 70.3 110.874 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' NE2' HG12 ' A' ' 151' ' ' ILE . 50.0 mm-40 -62.09 176.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.14 -33.7 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 60.42 110.93 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -171.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.832 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 105.13 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.39 22.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 61.22 112.499 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.66 122.79 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.335 . . . . 62.11 111.12 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.955 ' HB2' HD21 ' A' ' 97' ' ' LEU . 10.4 p90 -112.83 151.62 30.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.904 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -155.11 116.53 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.739 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 48.5 mt -90.89 123.31 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.01 111.114 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -109.06 155.78 20.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.03 110.833 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -118.19 138.0 52.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.86 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.583 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 56.2 m -58.13 174.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.815 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -103.91 -36.26 7.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.881 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.2 0.01 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -113.64 90.41 18.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 75.34 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 53.32 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.63 -4.46 34.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 55.24 112.441 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.31 118.4 24.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 53.54 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 128' ' ' LEU . 19.7 m-85 -118.2 141.08 48.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.15 110.901 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.34 124.82 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.912 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.955 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.5 tm? -91.74 136.08 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.701 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.8 t -121.59 111.17 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.865 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.67 145.83 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.31 111.155 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -97.79 131.48 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.679 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.1 m-85 -129.7 98.8 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.925 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.82 -108.76 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 62.52 112.505 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -112.54 18.35 18.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 74.35 110.923 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.61 131.96 36.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.598 HG11 ' HG2' ' A' ' 71' ' ' GLU . 91.9 t -96.11 107.55 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.122 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.647 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 42.4 mm-40 -95.29 171.46 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.924 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 1.1 m-70 -149.89 165.49 32.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.75 113.25 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.921 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 112.74 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.12 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 112' ' ' ARG . 41.3 t -71.68 124.19 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.35 111.133 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.621 HD21 ' CBQ' ' A' ' 174' ' ' DTF . 1.0 OUTLIER -88.49 131.35 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.937 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -125.97 136.66 53.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.35 110.839 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.1 163.46 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 62.1 110.864 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.17 4.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 54.14 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -173.2 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 74.45 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.0 30.5 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 43.43 112.502 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -104.58 136.08 44.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 73.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.6 m-85 -105.57 162.3 13.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 3.6 p90 -171.5 168.25 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 70.32 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.2 mt -120.49 -88.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.888 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.484 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -159.25 19.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.918 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.9 m -145.29 -41.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.077 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.604 HG22 ' H ' ' A' ' 124' ' ' LYS . 8.7 p -143.18 170.27 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.138 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.604 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.3 OUTLIER -117.35 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.917 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER -158.73 159.63 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 75.04 110.874 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.02 -35.84 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.41 110.871 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.6 t -136.46 172.2 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.861 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.754 HD11 ' CD2' ' A' ' 95' ' ' PHE . 57.4 mt -72.89 -45.89 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -36.82 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.11 84.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 70.11 110.886 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 125' ' ' PHE . 4.3 mp -74.52 -35.32 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.919 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 60' ' ' TRP . 9.0 t -58.1 -51.36 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 134' ' ' TYR . 0.5 OUTLIER -68.24 -53.62 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 54.54 110.888 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.4 t80 -36.76 -52.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 53.35 110.946 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.43 ' HB3' HD13 ' A' ' 148' ' ' LEU . 67.0 m80 -73.68 -37.2 65.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.911 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -48.46 -25.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.9 p -112.31 -31.79 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 65.41 110.851 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 52.9 m -103.22 140.28 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 43.24 111.126 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.1 p -39.19 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 63.45 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.26 -37.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.152 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.48 133.05 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.864 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -87.09 32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -131.49 -53.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.79 -171.26 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.945 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -108.28 97.28 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.92 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 147' ' ' PHE . 7.0 mt -134.46 159.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 61.54 111.176 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.46 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.8 m-85 -114.68 151.29 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.5 OUTLIER -70.74 109.0 4.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -86.14 134.05 33.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.24 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.87 107.79 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.461 HG12 ' NE2' ' A' ' 77' ' ' GLN . 5.1 tt -54.98 151.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 53.25 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.75 88.24 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.74 158.99 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.937 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.2 p -40.11 126.03 1.67 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 63.1 111.088 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 162.13 43.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.32 112.345 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -144.02 98.12 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.98 139.29 23.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 72.01 110.907 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.14 47.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.263 . . . . 53.02 112.355 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 40.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.115 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.621 ' CBQ' HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.435 ' CZ3' HD12 ' A' ' 85' ' ' ILE . 6.1 p-90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 51.04 110.946 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -112.95 140.78 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.86 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 28.3 m-85 -131.1 148.94 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 55.45 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.17 110.16 2.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 53.22 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 69.05 85.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.316 . . . . 62.52 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pp -148.04 132.37 8.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 65.01 111.097 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.07 66.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 72.52 112.367 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -30.1 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.53 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.43 71.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.65 77.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.888 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.71 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -55.41 -55.33 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 45.1 111.093 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -50.35 -34.85 25.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.15 -42.65 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.856 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 36.2 mmt -62.09 -29.98 70.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 82' ' ' ALA . 12.3 mt -84.45 -46.34 11.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 65.04 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -43.35 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.898 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -25.85 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.888 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.1 mm-40 -61.07 179.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 75.55 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -118.18 -31.25 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.846 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.55 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.852 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -124.62 113.03 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.67 20.75 4.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 52.4 112.499 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.98 126.25 26.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.14 111.097 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.7 ' HB2' HD11 ' A' ' 97' ' ' LEU . 41.0 p90 -105.88 152.5 23.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD22 ' HB1' ' A' ' 70' ' ' ALA . 1.8 tt -154.74 117.93 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 60.14 110.936 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.435 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.2 mt -94.71 129.36 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.3 111.158 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -120.48 160.81 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.9 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -112.19 133.77 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -63.53 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 54.23 110.877 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -78.67 -35.71 44.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.823 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -95.8 -3.25 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.88 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.16 87.86 46.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 44.45 111.062 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 121.66 8.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.21 112.367 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.97 -14.51 44.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.542 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 132.37 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 42.21 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 128' ' ' LEU . 49.8 m-85 -115.69 144.37 44.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.839 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 p -142.88 123.08 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.857 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 83' ' ' PHE . 8.3 tp -88.06 147.9 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.875 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CE2' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -98.1 154.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 72.42 111.114 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 99' ' ' VAL . 14.0 ttpt -93.04 135.69 33.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 65.2 110.893 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CE2' HG12 ' A' ' 99' ' ' VAL . 28.3 m-85 -131.65 93.79 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.25 -109.97 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.464 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.58 25.47 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 74.23 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -150.29 139.07 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.885 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.68 124.05 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 70.54 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.44 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 22.0 mm-40 -111.26 172.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 60.43 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.56 160.56 42.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.854 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' HD1' HD23 ' A' ' 97' ' ' LEU . 57.6 m-85 -130.46 117.28 19.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.3 OUTLIER -64.81 113.74 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.872 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.43 128.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 54.22 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.721 HD21 HAS1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -104.78 147.6 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 72.03 110.887 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -138.21 167.05 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.859 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.93 -169.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.7 33.41 5.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.491 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.53 -41.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 75.43 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.54 0.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 61.41 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 135.92 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 74.41 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HB2' HD13 ' A' ' 131' ' ' LEU . 67.0 m-85 -98.94 152.35 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.465 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -171.19 169.3 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.868 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -92.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -81.87 -52.76 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.943 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.65 -38.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.402 HG21 ' CE2' ' A' ' 134' ' ' TYR . 10.0 p -65.66 141.85 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.094 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 5.4 pttp -140.93 167.09 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 131' ' ' LEU . 36.1 m-85 -157.33 178.18 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.908 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -88.41 -43.29 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.911 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.63 164.58 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 71.05 110.82 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 95' ' ' PHE . 16.9 mt -69.24 -56.25 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 62.34 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 129' ' ' ASN . 5.0 t30 -37.72 -44.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.872 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.27 86.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -65.11 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 63.52 110.901 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 52.2 t -64.54 -37.35 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.04 111.13 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.06 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.88 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 138' ' ' THR . 26.5 t80 -52.85 -57.36 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.978 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.562 ' HA ' HG22 ' A' ' 138' ' ' THR . 1.2 t60 -56.96 -28.69 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.45 110.831 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -72.94 -25.86 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 73.11 110.863 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -96.44 -12.93 23.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.853 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 135' ' ' HIS . 12.7 t -120.41 154.19 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 75.43 111.126 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.2 p -42.8 160.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 141' ' ' SER . 7.2 p -131.47 -52.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 72.2 111.095 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.581 ' N ' HG13 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -88.57 139.09 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.57 33.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -129.87 -52.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.833 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -124.96 -179.52 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.883 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -105.27 91.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.1 147.08 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.1 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.88 154.34 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.9 108.97 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.08 137.49 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -63.84 108.92 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.479 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.5 tt -57.23 149.7 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 153' ' ' GLN . 2.8 mt-10 -106.12 95.43 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.871 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 152' ' ' GLU . 19.2 tp60 -35.43 150.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.624 HG23 ' HD2' ' A' ' 155' ' ' PRO . 6.8 p -35.72 138.19 0.43 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 62.33 111.13 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.624 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.8 Cg_endo -69.72 157.69 59.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 73.32 112.347 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.2 OUTLIER -135.93 105.53 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.93 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 156' ' ' GLN . 0.7 OUTLIER -34.41 117.97 0.53 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 71.1 110.907 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.24 9.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 71.11 112.321 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.4 111.189 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.721 HAS1 HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.601 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.822 0.344 . . . . 72.33 110.944 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -127.75 152.84 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 51.42 110.875 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.853 ' CD1' HD11 ' A' ' 84' ' ' LEU . 3.4 m-85 -141.58 133.32 27.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.918 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.71 -115.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 63.14 112.44 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.7 101.18 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.299 . . . . 74.42 110.885 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG21 ' HD2' ' A' ' 62' ' ' PHE . 1.1 pp -134.95 139.88 33.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 72.23 111.151 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.74 141.33 45.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 75.32 112.331 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.0 ttm180 -35.16 -41.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.51 110.841 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.0 -57.64 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -43.45 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.22 -56.34 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.105 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.4 OUTLIER -53.9 -31.89 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.86 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -73.29 -45.78 53.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.853 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.2 mmt -55.64 -32.05 62.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 151' ' ' ILE . 4.2 mt -88.11 -49.93 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.02 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -46.94 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 43.34 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -55.17 -19.51 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.32 110.905 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.8 mm-40 -72.21 164.05 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.12 110.893 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -101.15 -38.18 8.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 63.52 110.871 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -62.91 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.54 110.887 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.78 107.54 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 70.23 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.82 21.17 2.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 63.04 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.21 128.01 34.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 24.32 111.087 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.918 ' HB2' HD21 ' A' ' 97' ' ' LEU . 2.0 p90 -110.73 149.63 30.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.6 tt -152.2 113.81 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.86 112.39 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 64.31 111.084 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.59 154.31 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.842 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -109.97 135.69 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.857 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.592 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 2.0 m -44.22 165.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 55.54 110.851 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 -18.73 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.05 110.833 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.32 5.36 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.51 110.855 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -123.55 94.76 45.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 71.44 111.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.78 120.8 7.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 74.1 112.364 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.04 -14.62 40.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 70.53 112.514 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -72.35 131.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.11 110.917 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 128' ' ' LEU . 50.2 m-85 -124.01 132.88 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.883 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 p -138.62 120.82 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.854 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -90.04 134.91 33.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.946 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.777 ' N ' HD13 ' A' ' 97' ' ' LEU . 6.4 t -119.76 112.71 19.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.807 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.638 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.43 139.34 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.44 111.133 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -85.98 134.78 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.5 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.638 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 12.9 m-85 -139.17 92.05 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 72.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.19 -130.21 21.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.519 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -91.56 15.14 13.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 64.3 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.35 122.44 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.854 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.61 HG11 ' OE1' ' A' ' 71' ' ' GLU . 54.8 t -88.67 115.32 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 44.13 111.167 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.48 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 40.3 mm-40 -91.89 173.73 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.884 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -145.69 167.03 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 60.05 110.872 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 120' ' ' LEU . 14.9 m-85 -139.15 126.38 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.6 OUTLIER -75.2 123.68 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.872 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.38 130.54 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 71.42 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.679 HD11 ' CAT' ' A' ' 174' ' ' DTF . 2.0 mm? -100.1 148.23 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.903 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.423 ' NH2' ' OD1' ' A' ' 94' ' ' ASP . 10.0 mtm105 -136.09 121.78 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.853 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.92 176.1 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.843 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.23 -58.43 4.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 70.24 112.502 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -178.59 -52.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 70.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.46 23.43 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 71.43 112.448 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -97.92 146.45 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 74.01 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CZ ' ' HG ' ' A' ' 128' ' ' LEU . 16.0 m-85 -109.09 160.98 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 7.0 p90 -170.9 166.12 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 71.12 110.891 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -138.31 -84.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.924 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -79.46 -81.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 70.53 110.933 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' VAL . 12.6 p -134.58 10.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 62.11 111.105 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 p -115.23 145.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 51.14 111.146 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -142.92 166.97 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.926 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 33.7 m-85 -158.13 178.32 10.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.888 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.31 -47.58 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.16 161.55 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.902 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 42.6 mt -67.54 -35.25 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 54.21 110.905 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.402 ' H ' ' ND2' ' A' ' 129' ' ' ASN . 10.5 m-80 -50.81 -42.73 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -55.76 -24.41 35.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -41.98 18.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.925 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 83' ' ' PHE . 15.6 t -58.88 -42.18 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.33 111.148 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ARG . 1.9 t0 -74.29 -57.3 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.825 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 7.1 t80 -42.99 -36.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.918 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.679 ' ND1' HG12 ' A' ' 140' ' ' VAL . 17.0 m-70 -83.54 -29.9 27.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.859 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ASP . 4.7 ttt180 -59.05 -28.88 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.25 110.866 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.03 -29.13 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 64.5 110.87 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 92.6 m -107.81 136.12 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 74.23 111.154 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.1 p -52.62 159.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 54.05 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.679 HG12 ' ND1' ' A' ' 135' ' ' HIS . 3.4 m -127.49 -10.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.124 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.47 141.2 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.901 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 19.5 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.878 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -123.64 -42.82 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 71.11 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.01 -178.64 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -108.55 93.9 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 147' ' ' PHE . 47.6 mt -133.38 156.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.463 ' N ' HG22 ' A' ' 146' ' ' ILE . 27.7 m-85 -115.18 161.45 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.924 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' A' ' 135' ' ' HIS . 6.6 tp -82.68 109.43 16.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.923 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -93.11 130.67 38.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.882 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 111.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.2 110.861 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 4.9 tt -57.87 150.8 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -99.4 95.4 7.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 170.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 63.43 110.888 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 4.4 p -44.8 128.41 5.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 70.24 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 152.59 69.22 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.249 . . . . 63.42 112.356 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.08 77.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 65.05 110.902 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -165.76 142.63 4.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 71.03 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.24 61.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.734 2.289 . . . . 70.52 112.336 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 53.12 111.143 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.679 ' CAT' HD11 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.806 0.336 . . . . 73.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.6 t80 -102.11 151.16 22.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.655 ' CE1' ' NE2' ' A' ' 153' ' ' GLN . 4.9 m-85 -137.29 131.75 32.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.96 -164.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 73.54 112.49 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -58.81 97.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.784 0.326 . . . . 74.51 110.921 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.1 pt -128.23 137.03 29.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 72.31 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 75.21 112.354 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 10.5 mtp180 -33.13 -44.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.828 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -52.7 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.109 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.3 tptt -53.35 -48.17 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.33 110.94 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.063 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.38 -32.39 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.93 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -75.91 -44.19 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 61.41 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.6 mmt -55.45 -32.81 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 84' ' ' LEU . 5.4 mt -88.82 -44.35 10.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -55.6 -40.03 71.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.836 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -23.32 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 62.22 110.906 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -65.33 164.2 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -102.86 -32.22 9.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 74.02 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.8 -171.44 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 63.43 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -131.76 118.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 51.4 110.899 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.92 26.71 5.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 42.2 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.15 129.29 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 44.05 111.094 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HE2' HG11 ' A' ' 132' ' ' VAL . 2.5 p90 -108.67 137.91 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -148.44 119.16 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 75.3 110.937 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.82 124.66 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.147 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' NH1' ' HA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -114.75 151.01 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.912 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 88' ' ' SER . 1.4 tt0 -97.81 146.97 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.873 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.663 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 72.8 m -69.57 162.27 27.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.853 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 1.5 mt-10 -87.14 -59.42 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.07 28.43 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.869 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.663 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -141.19 83.1 14.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 31.1 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 133.86 26.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 73.31 112.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.89 2.91 74.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.707 -0.759 . . . . 53.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.04 134.7 44.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 73.02 110.853 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.5 ' CD2' HD11 ' A' ' 128' ' ' LEU . 24.3 m-85 -123.85 139.86 53.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.844 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 p -137.98 124.78 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 44.15 110.834 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 98' ' ' SER . 37.7 tp -88.33 157.93 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 61.54 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -147.92 105.78 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.876 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -105.63 149.9 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 61.32 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -95.27 133.06 39.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.9 m-85 -132.06 99.78 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 61.43 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.22 -119.21 14.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 30.24 112.512 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.32 19.35 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 64.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.35 143.48 37.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.898 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -109.78 114.37 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.112 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.481 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 65.1 mm-40 -101.22 170.93 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.887 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.57 168.68 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 71.21 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -138.41 119.11 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.875 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.5 OUTLIER -68.94 127.08 31.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.92 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 120' ' ' LEU . 21.7 t -104.17 140.27 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 64.54 111.047 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.812 HD21 HAT1 ' A' ' 174' ' ' DTF . 7.8 mp -121.21 165.92 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.5 110.88 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 134.89 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 61.13 110.851 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.9 165.55 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.852 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.672 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 79.84 -45.03 2.87 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 62.3 112.494 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 161.47 -20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 74.31 111.132 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -166.65 -31.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.528 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.03 117.49 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.14 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.508 ' HB2' HD13 ' A' ' 131' ' ' LEU . 65.5 m-85 -90.34 159.17 16.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.901 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 120' ' ' LEU . 2.0 p90 -170.85 167.51 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 65.43 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' VAL . 8.5 mp -136.3 -94.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.92 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.598 ' CD1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -151.55 14.95 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.872 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 121' ' ' TRP . 4.7 m -132.65 -31.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 72.44 111.169 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 124' ' ' LYS . 6.0 p -168.25 171.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 61.43 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -142.43 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.01 110.902 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -154.27 177.01 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -46.27 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.3 m -118.1 174.21 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.874 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 95' ' ' PHE . 45.1 mt -74.31 -42.73 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.31 110.892 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 132' ' ' VAL . 23.7 t30 -45.51 -50.83 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.902 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.98 -27.74 69.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.831 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -71.96 -49.43 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.929 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 129' ' ' ASN . 31.0 m -64.06 -31.12 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 64.13 111.114 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -48.52 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 138' ' ' THR . 35.0 t80 -73.73 -33.33 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.907 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.668 ' HB3' HD11 ' A' ' 148' ' ' LEU . 1.5 m170 -71.39 -36.96 71.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 70.25 110.853 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 136' ' ' ARG . 2.7 ptm85 -75.38 -29.18 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 65.13 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -16.58 33.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.843 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 134' ' ' TYR . 1.2 t -118.8 152.92 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.163 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -48.55 160.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.878 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 25.7 m -143.07 -36.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.12 132.21 34.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.85 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -88.6 22.13 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.46 -51.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 45.53 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -125.12 -174.87 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 73.32 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.04 87.0 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 23.0 mt -125.0 150.94 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 70.53 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.41 159.96 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.885 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 135' ' ' HIS . 50.6 mt -72.6 108.86 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 71.1 110.934 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -77.04 136.03 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.19 112.92 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 74' ' ' LEU . 4.7 tt -75.43 147.54 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.115 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.04 88.49 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 62.15 110.928 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.655 ' NE2' ' CE1' ' A' ' 62' ' ' PHE . 29.9 tp60 -46.21 149.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.932 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.2 p -38.37 125.99 1.09 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 50.43 111.131 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.11 67.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 73.31 112.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -165.53 80.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 53.11 110.94 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -171.89 114.75 0.41 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 72.34 110.91 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.71 68.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 71.22 112.324 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.24 111.143 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.812 HAT1 HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.708 0.29 . . . . 63.04 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.1 144.45 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 72.23 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 84' ' ' LEU . 6.6 m-85 -128.51 127.94 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.89 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 61.4 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 108.99 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 73.13 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.94 145.87 52.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 74.03 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.4 Cg_endo -69.8 135.34 30.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 53.42 112.342 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' PRO . 18.0 ttm180 -33.41 -38.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' PRO . . . -56.41 -55.98 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.156 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -41.78 68.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.864 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.73 -61.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.2 111.104 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -52.65 -32.28 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.878 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.66 -44.82 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mmt -56.94 -36.61 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 98' ' ' SER . 3.8 mt -80.59 -46.67 15.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.53 110.918 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -56.15 -47.15 78.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -21.91 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.943 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.473 ' NE2' HG12 ' A' ' 151' ' ' ILE . 45.1 mm-40 -67.51 169.49 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -109.8 -33.58 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.857 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.3 OUTLIER -69.03 -175.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.868 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.82 110.35 12.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 65.05 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.95 17.6 3.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 45.2 112.532 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.92 131.17 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 51.13 111.11 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.816 ' HB2' HD21 ' A' ' 97' ' ' LEU . 4.8 p90 -121.87 154.53 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.868 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.0 tt -157.05 120.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.546 HG13 HD23 ' A' ' 97' ' ' LEU . 58.3 mt -94.82 115.86 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 64.3 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -108.53 152.15 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.921 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.06 146.15 47.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 62.3 110.882 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -48.98 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 53.22 110.836 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -47.53 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.53 36.23 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.866 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -144.68 87.7 7.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 70.21 111.115 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.74 3.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 53.52 112.331 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.07 -18.4 5.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 71.32 112.507 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.32 110.21 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 74.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.54 136.13 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 p -141.6 127.8 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 55.54 110.851 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 83' ' ' PHE . 3.3 tm? -91.37 134.21 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.949 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.476 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.84 111.09 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 45.31 110.882 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.64 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.55 138.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 53.34 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -84.57 134.71 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.25 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.64 ' CE2' HG11 ' A' ' 99' ' ' VAL . 13.3 m-85 -139.97 92.16 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.872 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.22 -123.22 9.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 51.24 112.472 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.05 10.95 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 65.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.74 126.22 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.847 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' CG1' ' OE2' ' A' ' 71' ' ' GLU . 76.1 t -90.87 122.31 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.159 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 83.6 mt-30 -91.56 173.78 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.869 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' CE1' ' OE2' ' A' ' 71' ' ' GLU . 1.8 m-70 -142.79 158.7 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -137.31 110.34 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.489 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -63.07 120.67 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.896 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 52.4 t -83.54 127.67 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 52.12 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.481 HD11 ' CAT' ' A' ' 174' ' ' DTF . 4.0 mm? -100.74 142.22 32.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.08 134.19 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.14 110.849 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -144.62 172.07 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.33 110.85 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.88 -68.84 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 52.33 112.51 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.13 -56.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.4 111.134 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.42 39.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 72.03 112.531 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -105.73 109.17 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 53.13 110.905 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -88.77 154.5 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 62.13 110.958 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -168.82 166.24 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.91 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.29 -94.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -74.24 -71.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.899 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.2 m -132.98 -31.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 71.45 111.133 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 134' ' ' TYR . 9.1 p -71.7 142.08 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -136.6 166.53 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.914 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.655 ' HD2' HD12 ' A' ' 131' ' ' LEU . 89.2 m-85 -158.33 175.94 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.1 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.33 -45.62 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.929 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.8 p -107.58 156.58 18.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.818 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.9 -44.07 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 71.41 110.928 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -44.65 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -43.05 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 44.53 110.898 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 125' ' ' PHE . 2.3 tp -62.77 -55.22 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.898 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 87.8 t -48.54 -42.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.15 111.121 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.04 -59.66 4.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.876 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.464 ' CD2' HG21 ' A' ' 123' ' ' VAL . 10.6 t80 -49.36 -32.91 12.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.55 110.907 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -28.88 60.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -29.7 61.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 63.45 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -94.61 -14.56 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.9 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 73.0 m -119.26 150.92 39.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 42.32 111.134 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.7 p -45.19 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.8 t -128.44 -57.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.152 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.8 138.67 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 51.02 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -87.07 29.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.845 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.99 -48.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 54.24 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 -167.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.55 110.928 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -110.45 89.42 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -131.89 151.05 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.109 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -112.88 168.42 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -81.39 110.49 16.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.04 110.909 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -90.49 134.79 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.27 110.82 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.473 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.1 tt -52.82 143.36 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' GLN . 3.8 tt0 -81.54 91.73 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.898 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 154' ' ' VAL . 1.5 tt0 -36.99 149.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.87 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.1 p -34.61 125.74 0.52 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 72.53 111.113 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.12 64.25 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.256 . . . . 71.44 112.363 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.2 OUTLIER -148.4 86.92 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.914 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 156' ' ' GLN . 32.9 tp60 36.49 78.98 0.32 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 54.53 110.907 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.85 51.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.651 2.234 . . . . 73.15 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.54 111.155 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.489 HAR1 ' N ' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CB ' ' CE2' ' A' ' 83' ' ' PHE . 2.6 p-90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -92.4 142.81 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 73.23 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 18.0 m-85 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.55 -103.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.52 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -113.45 103.04 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 71.34 110.864 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.57 134.76 16.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 73.23 111.135 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.65 58.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.44 112.381 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' NH2' ' OAG' ' A' ' 174' ' ' DTF . 8.4 ptp85 -41.16 -37.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -58.81 -56.46 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 61.22 111.09 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.02 -46.44 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.54 -54.01 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 44.22 111.071 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.58 -34.74 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.41 110.853 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.88 -39.34 61.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 70.33 110.896 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.0 mmt -65.98 -33.05 74.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 mt -81.05 -43.27 19.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 62.3 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.42 ' HA ' ' CD ' ' A' ' 100' ' ' LYS . 3.2 t -61.49 -42.94 99.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.02 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -24.16 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.839 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.6 mm-40 -65.46 167.07 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.886 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -102.29 -35.3 8.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.863 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.63 -173.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.841 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -131.7 112.58 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.01 25.02 4.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 61.25 112.469 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 135.58 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.51 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.853 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.8 p90 -111.1 149.47 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.876 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.1 tt -156.95 114.66 3.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.945 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.428 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 63.9 mt -90.43 119.78 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.05 111.178 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -110.8 152.2 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -105.46 129.1 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.03 110.913 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -63.29 138.91 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.884 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.16 -37.85 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.869 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 p -85.69 -11.21 54.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.798 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -128.49 94.82 34.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 74.1 111.127 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.8 Cg_endo -69.76 135.82 31.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 74.12 112.332 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.87 18.58 67.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 53.1 112.522 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.61 122.94 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 70.42 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.419 ' CD1' HD11 ' A' ' 128' ' ' LEU . 52.9 m-85 -109.19 137.39 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.844 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -139.92 128.87 23.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 61.44 110.841 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -92.07 137.77 32.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.783 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -125.59 110.86 14.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.856 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -109.03 144.44 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.113 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CD ' ' HA ' ' A' ' 75' ' ' SER . 6.1 ttpm? -96.41 129.93 43.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.925 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 26.2 m-85 -126.39 92.36 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.908 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 32.32 112.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.14 15.0 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 71.35 110.896 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.76 124.87 20.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.883 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.99 121.27 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 55.11 111.142 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.36 173.65 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.25 163.81 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.876 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.87 118.29 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.916 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.461 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.1 OUTLIER -70.47 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.22 110.895 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.72 125.6 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 111' ' ' LEU . 1.9 mm? -89.52 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.944 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 145.89 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.877 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.25 -175.64 3.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.871 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.09 38.44 3.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 62.02 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.2 -44.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 71.43 111.09 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.75 30.3 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 64.41 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -117.44 151.98 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 64.23 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.67 150.18 47.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 124' ' ' LYS . 2.5 p90 -171.27 -177.59 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.879 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -124.89 -96.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.908 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -136.43 1.76 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.911 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.82 -72.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 125' ' ' PHE . 12.5 p -81.12 152.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -157.85 147.76 20.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.922 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.574 ' HB2' HD12 ' A' ' 131' ' ' LEU . 48.2 m-85 -153.46 179.38 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.932 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.501 ' CG ' ' N ' ' A' ' 127' ' ' SER . 2.7 p30 -85.29 -52.38 5.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 126' ' ' ASN . 83.0 p -91.64 171.21 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.857 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 95' ' ' PHE . 13.0 mt -83.25 -43.63 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 70.13 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -40.76 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 1.6 mt-10 -62.87 -33.16 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.13 110.838 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 125' ' ' PHE . 3.6 mp -69.61 -62.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.4 m -49.97 -28.57 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -57.71 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.876 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.601 ' HB3' HD11 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -73.84 -38.7 64.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.838 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.411 ' CB ' ' HB2' ' A' ' 148' ' ' LEU . 36.3 ptt85 -75.98 -18.43 59.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.88 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.46 -15.13 19.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 33.42 110.876 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.44 152.27 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 73.15 111.101 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.5 p -40.36 159.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 51.5 t -139.38 -42.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.127 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.86 134.2 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.869 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -85.52 22.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -53.33 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 52.2 110.907 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.43 -169.67 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.54 96.54 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.78 150.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.149 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -113.29 165.98 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 135' ' ' HIS . 42.3 mt -81.75 109.71 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.1 110.935 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -76.85 134.1 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.4 104.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 84' ' ' LEU . 1.4 tt -61.69 145.34 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.119 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -103.5 107.13 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.457 ' NE2' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -50.97 172.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.943 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.457 HG12 ' NE2' ' A' ' 153' ' ' GLN . 2.7 p -37.27 131.29 0.78 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 54.05 111.12 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 148.35 65.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 75.33 112.387 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -163.2 79.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.45 110.943 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.77 118.74 0.44 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 64.41 110.932 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 159' ' ' THR . 54.2 Cg_endo -69.73 170.85 15.58 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 72.14 112.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 158' ' ' PRO . 14.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.03 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.461 HAR1 ' N ' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.512 ' HB3' HG22 ' A' ' 151' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 75.43 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.8 t80 -91.2 140.68 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.857 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 11.8 m-85 -131.09 136.66 48.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.893 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.52 -148.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 14.42 112.492 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.96 92.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 73.22 110.901 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 pp -135.88 130.25 18.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 73.55 111.166 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.56 67.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 74.35 112.345 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -36.95 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.79 49.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.101 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -47.7 -45.22 28.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 61.45 110.912 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 71.42 111.094 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.611 ' HG2' HG11 ' A' ' 105' ' ' VAL . 68.0 mt-10 -52.65 -34.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -73.14 -34.32 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 151' ' ' ILE . 34.1 mmt -70.01 -30.57 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.88 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.596 HD11 ' OG ' ' A' ' 98' ' ' SER . 7.8 mt -87.29 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -60.77 -49.89 75.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.8 ptpt -49.66 -31.14 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.92 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' NE2' HG12 ' A' ' 151' ' ' ILE . 75.3 mm-40 -59.64 172.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.88 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -117.78 -28.45 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.11 110.888 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -71.27 -179.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.877 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.34 112.34 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.37 21.3 4.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.462 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -61.17 131.67 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 73.25 111.084 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.945 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -119.26 150.65 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.877 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -151.1 116.85 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.4 mt -91.45 130.73 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 54.44 111.118 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -121.44 151.75 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 88' ' ' SER . 31.2 tt0 -109.82 151.73 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.879 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.643 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.5 m -66.79 176.18 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.842 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.14 -37.62 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.96 -1.76 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.51 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -108.62 85.87 3.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.11 111.122 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.703 2.269 . . . . 74.51 112.34 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.38 -14.62 27.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 34.23 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.91 132.71 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 71.2 110.883 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD1' HD11 ' A' ' 128' ' ' LEU . 77.8 m-85 -128.41 143.57 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 120.37 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.9 tm? -89.67 133.33 34.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.597 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -119.65 111.48 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.615 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -110.32 152.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.14 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -104.24 131.45 51.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 63.53 110.927 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 31.1 m-85 -129.2 91.26 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.41 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.41 -113.72 5.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 53.44 112.515 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -106.88 25.11 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 73.34 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.58 121.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 62.55 110.811 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG11 ' HG2' ' A' ' 71' ' ' GLU . 74.5 t -90.24 109.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.124 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -95.35 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.542 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -150.17 170.17 19.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.25 110.823 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 107' ' ' HIS . 14.6 m-85 -144.42 123.35 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.5 110.891 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.458 ' HG2' ' CAR' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -73.94 108.51 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.925 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.36 130.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 74.13 111.113 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.0 mm? -98.94 143.3 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.953 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -139.85 134.95 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.881 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.74 173.99 12.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.18 -68.61 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 72.43 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -161.29 -53.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 72.34 111.057 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.77 32.66 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 53.41 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 127.8 45.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 75.21 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.71 ' HB2' HD13 ' A' ' 131' ' ' LEU . 6.7 m-85 -95.9 150.47 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.922 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 1.7 p90 -164.49 151.25 11.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 41.52 110.858 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.39 -81.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 74.03 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.593 ' C ' HG23 ' A' ' 122' ' ' VAL . 68.3 m95 -96.03 66.86 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 121' ' ' TRP . 3.1 t 79.66 -43.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.52 111.164 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 134' ' ' TYR . 1.4 p -63.45 136.38 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 54.34 111.134 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.5 ptmt -139.63 155.64 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -150.9 176.4 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.05 110.881 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.57 -39.63 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 44.13 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.1 172.65 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' A' ' 95' ' ' PHE . 8.7 mt -79.82 -54.94 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.33 -36.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.893 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.45 -45.06 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.14 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -65.63 -35.72 81.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.31 110.933 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.587 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 53.4 t -64.92 -49.36 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.51 111.12 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.65 -56.34 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 43.54 110.86 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.48 ' CD2' HG21 ' A' ' 123' ' ' VAL . 3.7 t80 -48.48 -48.58 37.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.942 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.579 ' HA ' HG22 ' A' ' 138' ' ' THR . 42.6 m-70 -66.9 -24.95 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.807 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -24.9 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -96.03 -23.96 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.865 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 135' ' ' HIS . 11.1 t -108.34 154.22 22.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 54.32 111.163 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.6 p -42.0 159.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.853 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 141' ' ' SER . 17.1 m -125.74 -46.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 55.53 111.118 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -94.56 144.01 25.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.848 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.66 29.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.44 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.66 -48.3 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.54 110.849 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.76 -171.95 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.928 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.67 99.79 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.951 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 147' ' ' PHE . 90.7 mt -134.33 158.94 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 71.41 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.53 ' N ' HG22 ' A' ' 146' ' ' ILE . 28.3 m-85 -117.09 156.61 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.9 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -78.28 111.59 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.926 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.67 140.37 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.31 110.858 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.26 115.98 16.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.864 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 74' ' ' LEU . 6.4 tt -64.77 151.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.15 111.087 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.81 81.19 8.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.849 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -51.92 141.48 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.905 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.2 p -33.54 126.58 0.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 70.11 111.147 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 166.91 26.02 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 72.31 112.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -162.97 81.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.83 130.58 2.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 73.53 110.902 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.96 8.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.238 . . . . 73.21 112.365 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.156 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.522 ' CAT' HD11 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.79 0.329 . . . . 75.33 110.937 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.32 139.82 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 19.1 m-85 -129.06 132.17 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.22 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -92.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 74.03 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' HB3' ' A' ' 87' ' ' GLU . 2.2 mmtp -123.79 110.23 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 71.53 110.885 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -137.32 135.43 19.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 73.21 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.0 Cg_endo -69.75 144.71 54.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 55.53 112.366 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.0 mmm-85 -33.55 -46.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.83 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.5 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -48.13 -52.76 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -53.32 -55.16 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.081 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.51 -32.67 28.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 55.51 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.94 -42.62 48.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.49 -37.23 75.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 64.35 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 82' ' ' ALA . 11.3 mt -83.03 -40.42 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 72.01 110.928 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -60.85 -50.98 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 5.7 ptpt -48.68 -32.77 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 75.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 151' ' ' ILE . 57.1 mm-40 -55.18 167.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.931 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -75.6 -166.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.852 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -130.57 114.98 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.55 25.71 3.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 64.51 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.08 114.44 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 74.51 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.822 ' HB2' HD21 ' A' ' 97' ' ' LEU . 11.4 p90 -104.4 138.36 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.92 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.926 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -147.84 115.23 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.23 110.898 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.6 mt -90.62 118.6 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.117 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -112.09 162.52 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.864 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 64' ' ' LYS . 15.1 tt0 -105.14 142.84 34.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.892 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.07 150.0 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.864 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.92 -39.43 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 61.43 110.849 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -87.65 -7.61 57.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.91 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.13 81.59 50.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 63.41 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.82 24.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 75.5 112.327 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.72 57.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.51 112.489 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 171.73 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.342 . . . . 73.42 110.833 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -143.99 139.19 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 p -137.83 123.14 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -88.13 132.74 34.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.93 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.558 ' N ' HD13 ' A' ' 97' ' ' LEU . 1.1 m -120.05 110.38 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 54.24 110.842 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -111.71 144.81 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 55.34 111.122 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -98.22 136.59 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.5 m-85 -135.29 93.93 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.883 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.41 -100.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 54.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.89 26.69 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.12 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -143.53 114.37 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.5 110.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 70.44 111.104 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.468 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 6.6 mt-30 -102.23 173.74 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.957 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 165.81 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 60.35 110.834 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 120' ' ' LEU . 6.7 m-85 -130.81 135.01 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.914 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -80.26 118.14 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.931 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.5 129.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.42 111.106 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.792 HD21 HAT1 ' A' ' 174' ' ' DTF . 3.7 mp -103.23 152.76 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.891 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.509 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 12.4 mtp-105 -141.38 144.13 34.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -179.15 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.9 26.24 6.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 64.34 112.486 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.04 -40.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 71.24 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.08 37.76 0.24 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 61.13 112.5 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER -115.08 125.12 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.738 0.304 . . . . 72.11 110.924 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 79.7 m-85 -90.44 148.53 22.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.901 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.56 142.16 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.4 110.857 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' A' ' 121' ' ' TRP . 6.5 tp -109.28 -70.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.941 ' CD1' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -179.44 -29.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.925 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 121' ' ' TRP . 12.4 m -108.4 -11.65 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 71.44 111.119 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 134' ' ' TYR . 2.6 p -155.62 150.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 63.43 111.143 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 150.02 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.925 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -152.78 175.3 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.8 -33.93 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 m -125.47 171.34 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.469 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 12.1 mt -73.72 -63.09 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.426 ' HA ' ' CG2' ' A' ' 132' ' ' VAL . 7.0 p30 -37.76 -34.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.879 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.57 -45.27 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -51.3 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 73.51 110.919 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 129' ' ' ASN . 11.0 m -53.78 -41.25 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 55.24 111.132 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.5 OUTLIER -61.78 -65.68 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.86 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 123' ' ' VAL . 59.5 t80 -43.88 -49.25 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.962 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 148' ' ' LEU . 1.6 m170 -66.57 -26.61 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.897 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -72.49 -23.52 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 64.54 110.889 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.7 p -102.91 -16.69 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 51.31 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 86.2 m -125.44 140.16 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 61.21 111.171 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.1 p -41.74 161.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.874 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 135' ' ' HIS . 47.6 t -141.95 -36.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.53 134.5 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.894 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.4 mtm105 -89.76 31.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -124.89 -56.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -123.77 -165.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.932 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -119.59 83.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.976 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 147' ' ' PHE . 3.6 mt -127.88 157.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.431 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.4 m-85 -113.55 158.36 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.32 110.871 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 135' ' ' HIS . 63.3 mt -73.08 108.95 6.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.939 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -83.31 139.45 33.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.33 105.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.824 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.4 tt -58.8 146.31 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.107 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -86.94 78.12 9.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.857 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.95 155.76 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 155' ' ' PRO . 5.4 p -41.6 136.32 1.95 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.73 . . . . 62.45 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 154' ' ' VAL . 54.2 Cg_endo -69.72 154.93 67.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.73 2.286 . . . . 73.54 112.362 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -142.38 84.22 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.82 113.55 12.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 71.34 110.938 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 157.23 61.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 70.22 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 60.24 111.115 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.792 HAT1 HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 74.42 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.7 t80 -89.98 144.11 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.54 110.864 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 3.8 m-85 -133.2 135.13 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 74.34 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.78 -98.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 74.14 112.501 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' ' CA ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -123.43 108.29 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 53.14 110.87 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -139.86 140.43 24.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 74.22 111.16 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.88 55.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 51.33 112.335 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 8.0 ptp180 -38.62 -36.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -60.56 -57.94 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.11 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -47.39 -42.41 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 63.34 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -60.27 -51.11 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.55 111.094 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.11 -34.46 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -71.88 -47.48 52.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.01 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.0 mmt -53.24 -32.22 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.1 mt -88.02 -45.45 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.923 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -53.37 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 52.2 110.893 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.64 -21.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' NE2' HG12 ' A' ' 151' ' ' ILE . 35.3 mm-40 -68.96 -177.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 71.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.09 -35.68 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -64.48 -178.48 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.886 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.16 114.88 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.903 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 149' ' ' ARG . . . 116.59 19.06 5.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 64.11 112.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.628 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -58.78 115.55 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.15 111.077 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.775 ' HB2' HD11 ' A' ' 97' ' ' LEU . 42.9 p90 -104.43 149.56 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.884 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -156.14 123.8 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.902 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.98 136.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.2 111.144 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 155.66 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 88' ' ' SER . 9.3 tt0 -124.08 151.62 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.898 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 4.5 m -71.15 175.46 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.861 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' CA ' ' HG2' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -104.01 -45.27 4.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.47 -8.2 23.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.876 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.434 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -111.43 92.44 16.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 73.44 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.25 27.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 74.43 112.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.43 -16.87 60.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -70.15 125.28 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 72.4 110.87 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CG ' HD11 ' A' ' 128' ' ' LEU . 28.3 m-85 -138.85 141.87 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.88 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 m -147.06 131.04 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 72.4 110.89 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.0 tp -88.06 154.87 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 55.33 110.946 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 76.5 p -141.69 107.49 5.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 60.01 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -107.17 145.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 73.55 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -93.72 122.66 36.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 54.01 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 99' ' ' VAL . 29.7 m-85 -123.68 96.09 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.897 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.13 -129.05 37.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 64.3 112.496 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.47 23.92 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 74.44 110.864 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.99 144.39 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.28 118.26 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 62.24 111.114 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -103.44 173.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -153.07 170.3 20.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.883 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.59 ' CD2' HD23 ' A' ' 97' ' ' LEU . 23.9 m-85 -141.13 118.59 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' HG2' ' CAR' ' A' ' 174' ' ' DTF . 0.0 OUTLIER -70.34 111.25 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 75.03 110.905 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.25 140.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.138 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.481 HD11 ' CAT' ' A' ' 174' ' ' DTF . 3.8 mm? -99.15 152.52 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.927 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -128.17 145.51 51.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.841 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -95.85 173.77 7.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.07 28.9 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 64.05 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.96 -38.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 53.12 111.112 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.69 33.86 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 41.55 112.511 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 150.23 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 74.22 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 131' ' ' LEU . 63.5 m-85 -114.67 140.3 48.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -152.43 173.06 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.841 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.29 -86.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 63.51 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -86.95 -75.29 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 122' ' ' VAL . 8.5 p -134.31 5.34 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.01 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.41 140.42 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.145 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 160.49 37.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.53 110.919 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.428 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 73.1 m-85 -156.38 -176.82 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 73.34 110.874 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -50.25 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.55 178.91 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 45.33 110.883 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 95' ' ' PHE . 69.6 mt -81.36 -32.84 32.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 61.03 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.508 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.0 OUTLIER -56.79 -41.0 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 55.2 110.846 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 2.5 mm-40 -62.0 -33.04 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -69.79 -63.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 71.35 110.928 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 25.6 m -47.05 -31.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 54.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -59.49 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 4.5 t80 -46.97 -38.98 11.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.947 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.632 ' NE2' HG23 ' A' ' 140' ' ' VAL . 1.2 m-70 -80.55 -24.0 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 71.55 110.829 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.21 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -96.33 -28.55 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.04 110.836 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.2 m -118.74 143.21 47.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.158 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -40.82 160.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 45.11 110.876 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.632 HG23 ' NE2' ' A' ' 135' ' ' HIS . 5.8 p -139.42 -35.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 75.44 111.136 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.62 135.5 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.859 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.48 33.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 62.34 110.852 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.29 -54.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 53.55 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.91 -178.31 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 61.5 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 145' ' ' GLN . 9.6 pt20 -101.54 84.44 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.943 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 147' ' ' PHE . 48.5 mt -130.45 154.69 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.45 111.153 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.8 m-85 -114.05 -177.18 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.91 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.576 HD21 HG11 ' A' ' 140' ' ' VAL . 8.9 mt -90.01 108.96 20.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.939 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.7 mpt_? -81.03 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.16 106.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.893 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 77' ' ' GLN . 1.9 tt -69.62 150.44 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.138 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -96.07 105.43 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 65.04 110.892 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -68.13 152.63 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.875 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.2 p -33.8 126.78 0.45 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 74.42 111.096 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 154.1 68.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 75.11 112.394 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.89 83.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 71.32 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.96 121.74 32.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.601 0.715 . . . . 74.01 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.29 66.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 72.42 112.376 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 45.02 111.141 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.527 ' CAR' ' HG2' ' A' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.463 ' CG ' ' CE1' ' A' ' 83' ' ' PHE . 1.9 p-90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 75.05 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.7 t80 -110.32 145.43 37.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 64.52 110.885 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 84' ' ' LEU . 13.9 m-85 -129.17 136.97 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.897 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.25 123.68 7.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 52.45 112.432 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 41.95 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.301 . . . . 72.52 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.1 pt -150.37 134.87 9.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 60.43 111.136 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.72 58.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 62.14 112.349 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -44.73 -31.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.875 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.64 -52.6 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 61.2 111.113 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -54.53 -48.99 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -51.66 -57.14 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.12 111.107 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.14 -38.14 50.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.953 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.85 -41.57 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 36.7 mmt -60.77 -35.1 75.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.844 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 82' ' ' ALA . 9.6 mt -80.22 -55.47 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.885 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -52.35 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 52.33 110.855 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 73' ' ' MET . 0.6 OUTLIER -46.25 -32.23 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' NE2' HG12 ' A' ' 151' ' ' ILE . 60.3 mm-40 -59.0 170.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 51.51 110.882 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -107.62 -31.61 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.05 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 61.53 110.85 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -129.47 122.77 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 61.31 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.98 21.74 7.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.494 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.75 127.34 31.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.01 ' HB2' HD21 ' A' ' 97' ' ' LEU . 28.0 p90 -106.9 148.39 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.878 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.5 tt -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.929 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' PHE . 43.4 mt -92.43 123.6 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.143 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -115.22 147.32 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.88 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -94.78 132.99 38.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.687 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -60.06 142.16 54.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 53.43 110.892 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.76 -60.32 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.91 9.63 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 60.1 110.872 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -141.4 82.74 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 63.41 111.121 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 115.76 4.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 62.32 112.359 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.91 -14.49 12.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.489 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 125.62 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 72.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 128' ' ' LEU . 2.3 m-85 -105.28 147.37 28.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.16 119.84 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 55.03 110.857 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.01 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.3 tm? -88.98 137.11 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.799 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -124.73 109.81 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.84 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -106.44 137.3 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 72.44 111.195 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -86.67 127.94 34.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.544 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.2 m-85 -131.41 105.34 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 52.98 -116.31 5.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 65.45 112.496 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -103.2 19.7 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 53.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.12 126.34 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.851 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.98 112.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.466 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 87.5 mt-30 -89.18 173.62 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.924 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.33 164.69 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.902 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.27 126.16 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -77.07 116.82 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.03 110.878 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.057 HG22 HD11 ' A' ' 120' ' ' LEU . 87.8 t -90.73 137.89 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 53.15 111.1 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 3.8 mp -118.21 145.93 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 54.22 110.893 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -137.18 149.45 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.908 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -153.25 170.45 20.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.38 -70.67 2.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 55.43 112.47 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -163.6 -60.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.5 111.119 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.8 38.24 1.29 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.472 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -103.98 116.41 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 64.01 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 7.0 m-85 -97.36 158.1 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.876 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -166.39 155.26 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 64.03 110.89 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 1.057 HD11 HG22 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -148.4 -76.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 65.12 110.923 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.566 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 97.0 m95 -96.92 98.43 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.928 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 122' ' ' VAL . 3.4 m 28.9 41.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.161 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.642 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 9.7 p -154.07 152.19 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.118 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -131.79 170.82 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.913 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.713 ' CD1' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -156.56 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.904 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.81 -34.09 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.947 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 131' ' ' LEU . 75.4 p -132.17 169.31 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.45 110.89 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.883 HD11 ' CD2' ' A' ' 95' ' ' PHE . 13.3 mt -79.37 -44.71 20.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -36.57 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.75 -25.63 65.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.906 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -78.48 -56.52 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.933 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.6 m -54.85 -35.91 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 44.43 111.139 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -66.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -48.97 -31.62 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.911 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.425 ' HA ' HG22 ' A' ' 138' ' ' THR . 15.3 m80 -77.82 -27.89 50.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.826 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -73.71 -24.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.5 110.912 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 89.5 p -94.64 -26.69 16.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 52.53 110.84 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 135' ' ' HIS . 1.2 t -111.21 153.55 25.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.135 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -45.54 159.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.882 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 146' ' ' ILE . 16.6 m -140.4 -35.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 63.24 111.083 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 2.3 p -85.91 153.88 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.85 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.92 9.36 43.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.3 -38.99 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.55 110.897 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -134.21 -174.26 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -107.35 58.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 140' ' ' VAL . 56.4 mt -93.16 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.104 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.542 ' N ' HG22 ' A' ' 146' ' ' ILE . 22.6 m-85 -121.63 170.25 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.869 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 83' ' ' PHE . 41.3 mt -81.96 108.85 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 60.35 110.947 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -78.7 137.63 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 53.12 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.02 115.18 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.838 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.448 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.57 130.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.15 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.23 94.24 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.903 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -51.87 172.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.878 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 153' ' ' GLN . 1.7 p -36.45 122.03 0.76 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 75.1 111.151 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 155.79 64.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 44.34 112.353 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -142.69 79.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.927 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 124.55 67.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 70.53 110.894 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.8 36.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 74.41 112.386 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 159' ' ' THR . 14.9 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 70.11 111.157 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.566 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' N ' ' OE1' ' A' ' 153' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.838 0.351 . . . . 75.31 110.919 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.4 t80 -106.53 148.57 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.902 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 7.2 m-85 -133.26 140.46 47.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.869 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.03 127.38 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.506 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 44.72 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 72.43 110.927 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.78 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.7 pp -139.96 124.59 11.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 74.12 111.18 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.2 Cg_endo -69.81 143.69 51.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 74.21 112.314 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.4 mmm-85 -33.12 -46.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -53.11 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 54.34 111.126 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.7 tptt -50.99 -53.07 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 65' ' ' ILE . . . -57.29 -52.13 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 44.03 111.107 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -54.87 -32.26 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -74.61 -47.32 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.869 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.498 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 29.7 mmt -55.44 -36.13 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 65.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.5 -51.5 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 65.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -52.59 -38.64 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 74.24 110.848 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 1.2 ptpt -62.58 -28.9 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 70.42 110.913 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 73' ' ' MET . 37.7 mm-40 -60.73 168.44 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.11 110.968 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.4 -32.42 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.844 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -65.96 -172.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.876 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -128.02 111.55 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 60.32 110.86 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.97 23.31 3.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 32.23 112.463 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.05 126.55 28.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 74.24 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.881 ' HB2' HD11 ' A' ' 97' ' ' LEU . 34.5 p90 -112.5 148.22 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.855 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.9 tt -154.5 120.29 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 60.43 110.929 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.36 128.29 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 51.14 111.108 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.684 ' CD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.86 163.48 16.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.89 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -107.78 132.29 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -61.38 129.95 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.841 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 64' ' ' LYS . 6.8 pt-20 -70.18 -39.44 75.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.907 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 p -88.62 -10.33 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -131.1 93.27 30.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 55.33 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 125.38 12.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 73.14 112.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.22 30.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 53.53 112.495 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.83 122.44 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 73.01 110.87 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CG ' HD11 ' A' ' 128' ' ' LEU . 34.3 m-85 -102.47 141.37 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.88 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.0 p -142.35 120.89 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 70.22 110.889 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 83' ' ' PHE . 15.2 tp -87.9 150.46 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 63.22 110.928 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.1 t -139.97 105.99 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.836 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.589 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -98.94 149.58 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 75.42 111.139 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -93.69 133.08 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.675 ' CE1' HD13 ' A' ' 146' ' ' ILE . 14.8 m-85 -134.08 94.35 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.18 -105.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 32.32 112.47 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 26.44 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 71.15 110.92 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -145.03 121.25 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.85 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.18 106.73 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.161 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 7.7 mm-40 -93.85 173.74 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.94 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.53 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -156.02 165.46 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.894 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -131.89 129.45 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.836 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.474 ' N ' HAR1 ' A' ' 174' ' ' DTF . 1.3 mmmt -76.51 112.84 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 73.25 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 120' ' ' LEU . 76.3 t -82.5 130.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.131 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.514 HD21 ' CAT' ' A' ' 174' ' ' DTF . 6.5 mp -113.84 146.43 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.899 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -146.1 159.01 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.858 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -97.61 -176.2 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.11 34.73 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 71.32 112.459 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -130.25 -45.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 50.54 111.083 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 135.14 30.6 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 31.31 112.473 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.75 135.0 53.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 44.51 110.871 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 52.0 m-85 -101.22 159.53 15.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -171.25 151.75 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.902 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 1.052 HD13 HD21 ' A' ' 131' ' ' LEU . 5.6 mp -150.25 -79.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 62.42 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 69.9 m95 -88.99 90.13 8.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.919 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' TRP . 21.9 m 34.03 33.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 73.52 111.126 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 121' ' ' TRP . 8.1 p -137.26 147.9 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.098 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.22 162.57 25.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.864 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 130' ' ' GLU . 3.1 m-85 -156.23 179.27 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 60.22 110.905 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -94.49 -34.05 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.929 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.28 -176.37 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.53 110.861 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.584 HD11 ' CG ' ' A' ' 95' ' ' PHE . 89.8 mt -74.7 -44.68 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.858 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -47.65 -48.63 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.899 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 125' ' ' PHE . 1.3 mm-40 -61.25 -23.27 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.858 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.052 HD21 HD13 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -79.1 -58.24 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.907 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 70.33 111.118 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.0 -59.64 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.899 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 1.1 t80 -42.29 -40.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.927 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.678 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -73.84 -38.28 64.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 50.23 110.87 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -56.5 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 72.32 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.95 -34.25 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.864 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.4 m -129.97 136.24 49.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 72.13 111.098 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 145' ' ' GLN . 60.6 p -67.79 158.96 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 51.34 110.86 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.591 HG22 ' NE2' ' A' ' 135' ' ' HIS . 6.2 m -131.93 -6.27 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.153 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.3 151.2 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 65.33 110.891 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -92.42 -3.21 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -90.82 -53.57 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 177.17 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.942 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 139' ' ' SER . 19.0 pt20 -105.91 52.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.903 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.675 HD13 ' CE1' ' A' ' 101' ' ' PHE . 4.5 mt -78.33 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.131 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 146' ' ' ILE . 23.8 m-85 -118.29 152.27 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 54.13 110.928 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.678 HD21 ' CD2' ' A' ' 135' ' ' HIS . 19.2 mt -69.06 110.41 4.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -86.89 131.47 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 112.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.477 HG12 ' NE2' ' A' ' 77' ' ' GLN . 4.1 tt -68.05 147.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 63.52 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.21 87.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 154' ' ' VAL . 7.4 tp60 -47.71 160.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.923 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.669 HG23 ' HD2' ' A' ' 155' ' ' PRO . 4.4 p -33.54 138.84 0.27 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.589 0.709 . . . . 64.13 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.7 Cg_endo -69.72 146.77 61.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.235 . . . . 70.31 112.336 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 157' ' ' GLN . 42.4 tt0 -157.11 105.96 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 63.34 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 156' ' ' GLN . 0.7 OUTLIER -32.51 95.95 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 75.44 110.91 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 156' ' ' GLN . 53.5 Cg_endo -69.84 174.21 9.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.64 2.227 . . . . 73.14 112.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.165 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.563 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.737 0.304 . . . . 73.54 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.2 t80 -127.62 152.16 48.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.879 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.822 ' CE1' HD12 ' A' ' 84' ' ' LEU . 12.6 m-85 -134.97 134.19 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.893 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.77 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.506 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -101.82 96.03 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.313 . . . . 62.24 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 70' ' ' ALA . 1.5 pp -136.41 138.93 28.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 62.1 111.123 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.3 64.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 51.24 112.359 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -45.04 -30.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.839 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -64.99 -52.79 54.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -46.17 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 52.11 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -53.03 -55.39 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 53.02 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' A' ' 105' ' ' VAL . 29.8 mt-10 -52.12 -34.3 43.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.35 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.18 -39.34 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.9 mmt -60.91 -35.52 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 82' ' ' ALA . 13.7 mt -83.82 -48.66 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.2 t -51.62 -39.96 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.866 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -63.39 -23.64 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' NE2' HG12 ' A' ' 151' ' ' ILE . 51.5 mm-40 -64.11 177.13 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -116.06 -37.14 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.589 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.27 -170.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.02 110.878 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -132.3 114.17 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.862 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.47 22.75 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 44.23 112.452 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 123.75 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 71.42 111.082 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -104.26 143.27 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.894 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.822 HD12 ' CE1' ' A' ' 62' ' ' PHE . 1.9 tt -155.85 113.86 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.3 mt -94.95 121.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -107.75 149.05 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.915 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -104.4 140.8 37.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.857 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -54.23 152.43 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.04 110.818 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.1 -58.02 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 72.55 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -105.64 21.77 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 54.15 110.862 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.857 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -131.89 79.69 67.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 64.13 111.066 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 73.44 112.37 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.23 -15.68 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.463 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -90.08 130.33 36.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 71.14 110.848 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 128' ' ' LEU . 69.1 m-85 -117.31 136.23 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.866 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -135.8 121.22 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 53.42 110.864 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 83' ' ' PHE . 28.6 tp -90.19 149.74 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -137.24 107.4 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -112.12 130.94 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 71.21 111.114 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -80.08 136.14 36.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 70.35 110.867 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 11.9 m-85 -132.8 100.44 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.899 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.17 -107.52 2.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 53.11 112.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.93 16.66 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.55 110.907 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -138.55 126.7 22.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 65.03 110.836 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 71' ' ' GLU . 46.9 t -83.31 131.85 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 63.22 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.476 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 63.2 mm-40 -115.64 173.28 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.932 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 159.64 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.03 110.846 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.498 ' CD1' HBA2 ' A' ' 174' ' ' DTF . 98.5 m-85 -129.75 131.35 46.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.896 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.457 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -79.01 112.4 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.34 110.918 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.4 t -86.42 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 64.45 111.181 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.653 HD21 ' CAS' ' A' ' 174' ' ' DTF . 7.9 mp -110.31 147.99 32.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.44 110.852 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 130.89 46.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.03 110.871 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.33 172.89 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.8 -65.3 2.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 60.22 112.506 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 65.34 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.31 23.81 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 65.22 112.477 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -90.86 129.38 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 75.25 110.868 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 m-85 -101.45 135.58 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.876 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -144.01 170.13 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.885 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.48 -91.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.03 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.455 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 10.0 m95 -83.42 -70.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.83 2.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 53.15 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.8 p -105.84 143.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 158.59 43.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.951 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.512 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 52.5 m-85 -153.06 -177.24 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -95.68 -44.32 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 76.6 p -114.42 164.52 13.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.864 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' A' ' 95' ' ' PHE . 40.6 mt -71.96 -31.52 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.919 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.508 HD22 ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -53.38 -38.74 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.835 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 25.4 mm-40 -59.59 -23.74 63.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 55.15 110.93 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 118' ' ' TYR . 3.0 mp -85.27 -54.36 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 23.1 t -47.85 -40.81 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.17 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.28 -53.83 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 70.12 110.831 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -39.92 -40.51 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.953 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.472 ' CB ' HD13 ' A' ' 148' ' ' LEU . 8.9 m80 -82.86 -36.63 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 72.04 110.86 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -53.26 -21.58 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 61.53 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.4 -23.02 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 40.44 110.889 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.9 m -108.4 140.21 42.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 44.33 111.127 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.8 p -39.5 159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.7 t -132.59 -39.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 71.13 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 137.43 32.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 42.43 110.881 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 0.1 OUTLIER -85.29 -6.94 59.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 64.24 110.914 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.03 -44.06 7.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.23 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -131.66 179.01 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.43 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -99.13 99.82 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 147' ' ' PHE . 57.4 mt -127.45 153.28 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.34 111.12 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 146' ' ' ILE . 24.0 m-85 -114.62 145.35 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.914 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 135' ' ' HIS . 0.2 OUTLIER -66.16 109.16 2.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -88.59 140.0 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.22 110.875 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.54 111.52 6.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.895 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -58.56 144.04 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.147 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 79' ' ' HIS . 1.4 mp0 -80.15 79.75 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.838 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 156.99 38.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.923 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.51 127.0 2.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 74.42 111.138 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.96 68.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.219 . . . . 62.32 112.339 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.69 84.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 64.25 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -149.0 138.85 12.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 72.41 110.907 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 163.5 38.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 74.54 112.285 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 63.45 111.124 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.653 ' CAS' HD21 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.455 ' N ' ' CG2' ' A' ' 151' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 64.12 110.944 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.2 t80 -127.91 152.97 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.554 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 11.9 m-85 -139.37 143.4 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 61.22 110.846 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.05 116.38 5.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 35.24 112.485 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.84 96.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 71.1 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pp -147.36 130.87 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 74.3 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 145.1 56.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 62.3 112.372 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -33.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 65.21 110.911 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.16 67.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 71.04 111.112 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.89 67.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -52.1 -50.64 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.105 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.6 -35.62 61.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.09 -43.47 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.23 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.6 mmt -59.69 -32.6 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.59 -51.41 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.22 110.925 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -50.53 -41.71 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.822 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 77' ' ' GLN . 2.6 ptpt -59.42 -31.11 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.867 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 50.2 mm-40 -56.78 171.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.25 110.91 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -106.9 -36.65 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -69.31 179.39 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 112.03 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.86 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.7 24.65 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 75.02 112.44 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 132.65 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 53.23 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CZ ' HG11 ' A' ' 132' ' ' VAL . 4.7 p90 -103.95 146.65 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.882 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -153.67 115.66 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.1 mt -99.54 124.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.142 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -113.08 148.08 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.867 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -105.92 154.85 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.909 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.811 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -70.99 158.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.858 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 -63.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 62.02 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -109.97 39.83 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.861 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.811 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -140.34 84.54 14.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 71.45 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.65 2.14 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 63.4 112.33 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.4 -24.4 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 64.21 112.511 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -73.96 119.58 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 72.22 110.87 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 128' ' ' LEU . 60.4 m-85 -119.59 137.04 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.917 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t -135.79 120.1 17.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.852 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 98' ' ' SER . 5.0 tp -88.01 149.27 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.463 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 t -139.02 105.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 148' ' ' LEU . 1.2 t -106.45 139.57 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -87.08 140.9 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 22.3 m-85 -136.28 101.01 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.87 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 54.7 -98.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -121.11 28.47 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 70.11 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.09 121.82 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 60.35 110.865 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.29 113.56 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.179 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 29.8 mm-40 -103.15 173.62 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.875 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.63 166.28 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.867 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.19 119.18 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.875 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.4 OUTLIER -69.98 104.38 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.88 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 t -64.88 119.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 51.11 111.134 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 119' ' ' PHE . 0.9 OUTLIER -84.25 116.98 23.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.921 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.25 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.863 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.31 -179.91 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.842 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.77 35.45 2.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 55.31 112.478 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.58 -45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 70.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.79 33.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 43.25 112.453 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -116.44 154.13 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 73.21 110.888 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.415 ' CE2' ' HG ' ' A' ' 128' ' ' LEU . 62.3 m-85 -127.82 153.32 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.912 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 111' ' ' LEU . 1.3 p90 -169.08 170.43 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 73.54 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.51 ' HB3' ' NE1' ' A' ' 121' ' ' TRP . 3.4 mt -122.7 -58.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 75.31 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -164.62 -33.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.93 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.1 32.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.25 111.143 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.8 138.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 65.15 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -138.74 149.38 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.5 m-85 -151.77 -179.88 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.852 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -38.1 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 65.54 110.927 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.29 159.96 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.889 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 95' ' ' PHE . 7.7 mt -65.54 -36.04 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.926 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.424 ' H ' ' ND2' ' A' ' 129' ' ' ASN . 9.5 m-80 -49.04 -43.47 40.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.882 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.533 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 1.8 mp0 -54.3 -28.19 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 63.11 110.855 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.3 mp -82.56 -44.62 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.539 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 78.6 t -59.15 -39.13 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 136' ' ' ARG . 34.1 t70 -76.49 -63.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -41.27 -40.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.606 ' CB ' HD11 ' A' ' 148' ' ' LEU . 22.0 m80 -78.31 -31.46 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.1 ttp85 -57.13 -29.83 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.11 110.893 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.8 p -103.19 -33.59 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 65.22 110.871 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' HIS . 46.2 m -104.07 137.6 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.53 111.106 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.8 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 60.5 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 148' ' ' LEU . 7.2 p -131.17 -6.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.141 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.2 p -110.27 146.0 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.903 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.0 28.18 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.809 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.99 -49.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 63.23 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -126.17 -178.58 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.51 94.01 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 mt -134.7 146.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 71.52 111.192 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.45 165.47 12.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.606 HD11 ' CB ' ' A' ' 135' ' ' HIS . 17.3 mt -78.7 108.32 12.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 10.9 mmt180 -77.47 138.89 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 60' ' ' TRP . 1.8 tt -74.56 148.67 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.143 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.12 101.66 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 159.47 32.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 64.02 110.917 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.592 HG23 ' HD2' ' A' ' 155' ' ' PRO . 4.0 p -40.33 136.56 1.37 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 71.22 111.138 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.592 ' HD2' HG23 ' A' ' 154' ' ' VAL . 54.3 Cg_endo -69.66 157.64 59.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 52.44 112.389 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' GLN . 0.0 OUTLIER -111.57 110.26 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.904 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 156' ' ' GLN . 21.9 tt0 -36.4 118.37 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 74.11 110.91 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 149.12 66.87 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.698 2.265 . . . . 75.54 112.387 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.53 111.145 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.649 ' CB ' ' CH2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.931 ' CZ2' HG21 ' A' ' 132' ' ' VAL . 1.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 75.44 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -126.42 151.99 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 71.4 110.822 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' O ' ' CE1' ' A' ' 61' ' ' PHE . 15.1 m-85 -131.82 143.81 50.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.14 99.94 2.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 71.22 112.499 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 52.09 104.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 72.12 110.88 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.782 HD11 HD21 ' A' ' 84' ' ' LEU . 2.2 pt -146.61 136.71 12.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 53.13 111.117 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 69' ' ' LYS . 53.8 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 75.54 112.36 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.88 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -49.74 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 62.21 111.134 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -59.75 -48.06 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.928 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.19 -56.29 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.2 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.77 -34.7 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.41 110.873 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.29 -42.44 65.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.845 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -60.35 -29.27 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 82' ' ' ALA . 19.2 mt -86.16 -55.58 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.15 110.953 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -41.81 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -19.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 58.1 mm-40 -75.15 170.28 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.24 110.93 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -109.17 -28.81 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -70.94 -169.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 54.4 110.876 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.53 116.1 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.833 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.74 23.76 5.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.6 129.15 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 75.04 111.113 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.79 ' HB2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -108.97 145.33 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.23 110.899 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.782 HD21 HD11 ' A' ' 65' ' ' ILE . 3.5 tt -149.89 113.61 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.898 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.618 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 22.3 mt -89.76 123.37 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.24 111.097 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 142.33 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 60.12 110.868 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -102.59 156.74 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.867 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 m -91.46 160.91 15.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.32 110.845 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -49.93 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 4.23 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 61.32 110.876 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.38 88.82 8.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 75.23 111.055 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 111.42 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 53.21 112.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.21 -15.35 9.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.93 121.75 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 74.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 128' ' ' LEU . 59.4 m-85 -117.38 143.71 45.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -142.64 122.96 13.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.1 tm? -94.59 135.51 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 64.33 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.788 ' N ' HD13 ' A' ' 97' ' ' LEU . 17.6 m -121.9 110.57 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.835 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.583 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -109.37 138.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 61.34 111.168 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -89.09 139.22 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 17.4 m-85 -137.94 92.42 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 54.21 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.67 -98.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 52.13 112.47 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -120.67 21.66 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 71.52 110.922 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -141.77 121.83 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.88 102.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 44.11 111.115 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 52.2 mm-40 -84.83 173.81 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.924 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.553 ' CD2' HBC2 ' A' ' 174' ' ' DTF . 0.2 OUTLIER -148.87 169.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.87 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.48 124.46 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.874 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -76.92 114.74 16.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.906 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.4 t -78.27 134.34 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.134 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 3.5 mm? -105.17 137.95 42.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.973 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 124.67 25.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.43 110.864 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.81 175.28 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.52 -61.59 2.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.02 112.447 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -177.91 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 63.22 111.119 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.12 17.68 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 73.13 112.491 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 124.14 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 65.13 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.522 ' HB2' HD11 ' A' ' 131' ' ' LEU . 77.3 m-85 -96.1 154.58 17.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 111' ' ' LEU . 2.8 p90 -171.02 156.99 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.837 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 131' ' ' LEU . 4.4 mp -123.87 -94.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.919 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -76.43 -72.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 -33.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 70.04 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 125' ' ' PHE . 9.9 p -74.2 145.7 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.13 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 125' ' ' PHE . 7.6 pttt -138.7 167.31 22.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.917 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 123' ' ' VAL . 5.5 m-85 -156.41 -176.58 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.885 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -92.01 -56.72 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -103.01 177.31 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.903 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' A' ' 131' ' ' LEU . 61.7 mt -81.34 -27.07 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -61.84 -25.64 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.889 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.27 -26.09 60.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 62.55 110.866 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -80.86 -46.63 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.879 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.931 HG21 ' CZ2' ' A' ' 60' ' ' TRP . 7.2 t -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.31 111.109 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -57.98 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -51.22 -60.22 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 55.42 110.951 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -57.66 -26.58 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.879 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.92 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.855 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.6 p -96.95 -20.39 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 42.33 110.827 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 t -119.74 153.02 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.159 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.8 p -39.96 160.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 135' ' ' HIS . 35.4 m -138.35 -43.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.181 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HG23 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -85.28 138.02 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.874 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -87.78 31.94 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.88 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -52.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.859 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.17 -165.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 62.43 110.941 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.93 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 147' ' ' PHE . 28.0 mt -130.61 157.85 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 65.41 111.157 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 146' ' ' ILE . 21.8 m-85 -121.72 169.65 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 135' ' ' HIS . 22.4 mt -81.97 108.77 15.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 63.42 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.99 128.89 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -57.14 103.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 2.2 tt -60.64 151.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.138 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 87.07 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.453 ' HG3' HG12 ' A' ' 154' ' ' VAL . 40.9 tp60 -52.26 154.47 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.886 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 153' ' ' GLN . 2.0 p -35.01 124.22 0.57 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 61.42 111.128 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.93 69.27 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.254 . . . . 62.11 112.351 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.13 81.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -177.13 129.4 0.33 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.661 0.743 . . . . 71.41 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 168.9 20.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 75.01 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 159' ' ' THR . 3.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 42.21 111.146 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.553 HBC2 ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.599 ' HB3' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 74.42 110.918 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' PHE . 1.4 t80 -94.05 150.68 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD1' HD11 ' A' ' 84' ' ' LEU . 4.7 m-85 -132.3 145.21 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -96.82 119.32 6.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 43.12 112.508 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.5 mtmt 36.14 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 32.24 110.866 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.546 HD11 HD21 ' A' ' 84' ' ' LEU . 1.9 pt -136.99 135.15 19.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 63.23 111.104 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.1 Cg_endo -69.75 142.41 47.91 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 43.53 112.347 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.1 mtp180 -34.05 -46.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -51.97 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.123 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -49.59 64.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 42.45 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.54 43.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.075 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CB ' HG21 ' A' ' 105' ' ' VAL . 45.7 mt-10 -53.6 -30.97 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 60.11 110.921 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.14 -45.67 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 63.12 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 31.0 mmt -55.9 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.31 -41.1 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -57.59 -47.64 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.802 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -56.39 -26.37 52.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 62.4 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' NE2' HG12 ' A' ' 151' ' ' ILE . 44.9 mm-40 -60.46 163.6 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.871 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -104.49 -30.51 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.03 -176.06 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.912 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.95 108.47 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.835 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.14 21.31 2.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 53.02 112.509 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.52 134.64 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 51.22 111.032 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.885 ' HB2' HD21 ' A' ' 97' ' ' LEU . 16.3 p90 -112.54 142.23 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 62' ' ' PHE . 6.0 tt -143.93 120.75 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.938 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.57 118.57 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -106.76 145.78 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.903 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 88' ' ' SER . 5.5 tt0 -100.4 147.9 25.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.915 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.673 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -76.45 168.63 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 44.03 110.844 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -58.25 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 15.83 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.877 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.673 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.57 89.22 51.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 51.1 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.86 15.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 63.02 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.38 9.27 73.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 62.2 112.466 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.33 123.94 42.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 74.52 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 19.9 m-85 -121.6 144.03 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.926 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 t -139.24 123.42 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.44 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.885 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.7 tm? -95.3 139.0 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 73.54 110.916 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.849 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -128.75 111.36 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 70.03 110.886 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -108.22 140.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 74.54 111.137 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -88.1 136.68 32.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 54.44 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 15.6 m-85 -136.4 92.74 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 64.04 110.897 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.74 -108.01 2.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 62.21 112.517 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -110.22 24.82 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 73.34 110.885 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -144.19 135.15 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 53.15 110.864 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 71' ' ' GLU . 61.3 t -101.75 100.22 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -84.91 173.49 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' CD2' HBC2 ' A' ' 174' ' ' DTF . 0.3 OUTLIER -153.89 168.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.883 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -141.95 120.6 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.89 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -69.13 116.68 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.917 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 120' ' ' LEU . 56.1 t -73.61 138.3 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 62.31 111.174 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 0.6 OUTLIER -104.25 136.03 44.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.937 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -121.64 173.31 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.831 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.55 176.85 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.871 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.96 24.13 5.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.436 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.27 -37.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 74.13 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.85 36.23 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 53.43 112.487 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.35 160.02 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 70.34 110.907 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -119.18 153.68 34.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -168.65 160.58 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 71.54 110.864 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -152.88 135.79 15.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 72.44 110.901 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.561 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 67.0 m95 61.8 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.933 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -140.46 -48.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.149 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.9 p -47.78 153.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 70.01 111.174 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 125' ' ' PHE . 8.6 mtmm -142.51 141.44 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' LYS . 28.6 m-85 -153.4 172.27 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.927 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -94.09 -42.87 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.853 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 p -105.9 176.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.3 110.9 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.787 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 78.0 mt -82.65 -39.99 21.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -50.52 -33.71 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.23 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -69.63 -37.2 76.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 44.25 110.928 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -68.52 -55.78 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.903 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 34.6 m -52.36 -39.38 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.31 111.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -65.41 -62.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.854 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -44.82 -44.12 9.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.475 ' CD2' HG22 ' A' ' 140' ' ' VAL . 17.9 m80 -75.56 -22.17 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.836 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' ASP . 32.8 ttt-85 -68.12 -31.0 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.851 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.7 p -97.34 -26.12 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 97.6 m -109.12 134.24 51.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.53 111.132 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.0 p -41.16 162.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 51.43 110.839 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 135' ' ' HIS . 94.0 t -136.02 -35.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 73.1 111.113 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -84.97 135.66 33.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.848 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.49 25.89 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.91 -43.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.868 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 170.27 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.893 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 83.04 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 147' ' ' PHE . 41.2 mt -128.4 157.26 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.494 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.1 m-85 -117.23 172.07 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.866 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 99' ' ' VAL . 71.7 mt -85.11 110.49 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 53.12 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.52 137.27 34.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.01 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 105.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.863 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 60' ' ' TRP . 1.3 tt -60.56 148.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 65.11 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.39 103.53 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.871 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -53.22 136.47 36.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.33 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.74 127.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.23 111.173 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.6 23.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 64.5 112.387 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -135.0 83.73 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 64.31 110.927 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.51 132.44 2.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 74.44 110.881 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.93 67.33 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 44.11 112.367 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.176 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.561 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 13.9 p-90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.312 . . . . 71.51 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -90.7 145.58 24.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 64.32 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 84' ' ' LEU . 21.9 m-85 -129.94 128.69 42.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.37 -93.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.452 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.26 109.05 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 73.51 110.922 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -146.8 138.74 13.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 74.14 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.65 51.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 74.14 112.372 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -39.42 -36.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.95 -59.03 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 61.05 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -41.94 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.845 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -59.07 -53.05 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.104 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 105' ' ' VAL . 91.6 mt-10 -49.71 -36.55 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.849 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.73 -41.44 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.866 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.3 mmt -62.91 -32.33 73.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.2 110.869 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 84' ' ' LEU . 11.6 mt -82.51 -47.93 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -55.42 -46.75 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.851 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -52.92 -23.11 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.901 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' A' ' 151' ' ' ILE . 43.8 mm-40 -68.27 171.2 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -111.68 -29.32 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -72.17 -176.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.855 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -127.38 116.32 20.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.47 25.77 3.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 34.55 112.481 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.33 123.6 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 62.23 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.444 ' HB2' HD11 ' A' ' 97' ' ' LEU . 5.8 p90 -106.88 135.78 47.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.857 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -148.53 120.09 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.53 110.896 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.5 mt -98.1 119.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.145 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' NH2' ' OAF' ' A' ' 174' ' ' DTF . 4.7 ptt85 -114.34 142.15 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.838 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -87.49 160.12 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 70.31 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -72.3 147.9 45.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.846 -179.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.95 -68.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 55.32 110.898 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -101.29 33.99 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.897 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 88' ' ' SER . . . -143.91 88.85 7.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 65.43 111.089 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 54.1 Cg_endo -69.77 123.91 10.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.282 . . . . 72.31 112.321 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.05 -21.59 31.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 54.12 112.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.35 110.33 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 64.35 110.872 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.9 m-85 -101.64 139.03 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.03 110.929 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.2 p -139.88 119.86 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.04 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 83' ' ' PHE . 40.2 tp -88.9 151.19 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 t -139.94 106.48 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.864 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 t -104.59 136.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.44 111.124 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 61.42 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 16.7 m-85 -113.06 93.2 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.921 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.44 -124.11 24.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 73.12 112.447 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -97.52 28.46 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 54.11 110.924 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 125.89 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 60.5 110.87 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 71' ' ' GLU . 95.1 t -90.68 113.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -95.96 172.41 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 64.05 110.952 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -147.81 171.53 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.891 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -147.85 118.1 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.54 110.908 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -68.53 122.83 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.915 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 111' ' ' LEU . 26.0 t -86.66 140.75 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.15 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' ' CAS' ' A' ' 174' ' ' DTF . 1.5 mm? -118.04 138.61 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.931 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' HG2' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -136.17 157.17 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.877 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.41 -176.9 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.854 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.06 36.55 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 51.43 112.46 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.57 -39.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 63.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 29.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.715 -0.755 . . . . 65.5 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -111.25 122.17 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.43 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 41.0 m-85 -91.66 153.53 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.89 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -168.22 170.62 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.863 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.32 -88.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -85.01 -71.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.962 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.36 -29.4 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.107 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.3 p -75.49 149.88 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.05 111.127 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 119' ' ' PHE . 1.1 pttp -143.69 166.13 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 61.33 110.896 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 131' ' ' LEU . 40.5 m-85 -155.12 177.17 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 74.24 110.895 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -87.38 -41.65 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 154.06 49.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 42.23 110.838 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 131' ' ' LEU . 17.8 mt -59.06 -27.09 65.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.893 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.97 -34.54 60.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -65.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.22 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -48.41 -33.56 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.93 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 128' ' ' LEU . 22.4 t -64.32 -63.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 51.01 111.12 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -54.84 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.863 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.19 -50.72 36.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 70.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.674 ' HB3' HD11 ' A' ' 148' ' ' LEU . 2.1 m-70 -64.66 -18.88 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.88 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.14 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 61.21 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.7 p -104.86 -5.13 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 72.3 110.865 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 m -131.12 148.74 52.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 65.11 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 p -43.7 161.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.416 HG12 ' ND1' ' A' ' 135' ' ' HIS . 35.9 m -141.16 -37.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 55.02 111.145 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.8 t -88.75 142.54 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.889 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -88.33 26.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 60.14 110.899 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -130.06 -49.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -125.29 -177.64 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.918 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -107.34 61.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 38.0 mt -96.78 147.89 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 62.51 111.102 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -113.18 167.47 10.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.882 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 135' ' ' HIS . 40.2 mt -80.29 108.85 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.891 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -78.9 131.89 36.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.874 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.83 112.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 84' ' ' LEU . 2.1 tt -71.89 139.48 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 61.22 111.097 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 152' ' ' GLU . 4.0 tt0 -81.22 80.82 7.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.903 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 154' ' ' VAL . 11.6 tm0? -61.64 141.87 57.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.1 p -35.4 125.0 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 70.3 111.113 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.76 20.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.733 2.288 . . . . 72.24 112.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -102.6 95.19 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -107.73 82.74 1.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 74.22 110.94 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 172.96 11.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.725 2.283 . . . . 75.42 112.372 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 53.33 111.123 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.522 ' CAS' ' HG ' ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.476 ' N ' HG22 ' A' ' 151' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 63.32 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.99 152.83 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CD1' HD11 ' A' ' 84' ' ' LEU . 2.3 m-85 -137.59 124.07 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.67 -93.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.467 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -131.84 103.56 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 72.34 110.899 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.88 140.19 35.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.633 0.73 . . . . 71.21 111.131 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.5 Cg_endo -69.81 141.22 44.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 54.5 112.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' HH21 ' A' ' 86' ' ' ARG . 1.8 ptm180 -33.39 -43.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.19 -59.19 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.121 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -46.3 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.0 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 52.01 111.108 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.707 ' OE1' HG11 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -59.54 -28.63 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.827 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.08 -44.4 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 62.21 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.1 mmt -59.33 -38.48 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.875 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.681 HD23 HG13 ' A' ' 151' ' ' ILE . 6.4 mt -81.5 -40.41 23.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 73.54 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -58.96 -42.34 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -25.08 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -58.97 169.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 64.22 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.07 -22.65 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.889 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -82.38 -164.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.882 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.29 117.64 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.42 22.29 6.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 52.14 112.497 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.51 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.01 128.9 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 53.2 111.062 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.757 ' HB2' HD21 ' A' ' 97' ' ' LEU . 1.3 p90 -106.82 146.51 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.891 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.1 tt -154.04 114.08 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.3 mt -92.48 114.06 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.136 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.503 HH21 ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -109.12 152.56 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.24 110.865 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.78 142.72 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 5.6 m -72.21 161.78 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 61.11 110.888 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -37.4 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.858 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.25 3.68 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.879 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -127.77 95.31 35.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.7 . . . . 73.15 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.9 Cg_endo -69.77 146.54 60.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 72.44 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . 62.39 24.88 66.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 74.24 112.462 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.44 121.72 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.42 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -115.21 140.05 49.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.895 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -138.57 120.22 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.795 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.769 ' C ' HD13 ' A' ' 97' ' ' LEU . 1.9 tm? -88.62 137.09 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 75.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.654 ' N ' HD13 ' A' ' 97' ' ' LEU . 7.5 m -121.14 106.76 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 61.21 110.862 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.584 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 1.2 t -108.53 137.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 73.31 111.12 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -85.73 139.97 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.584 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 29.0 m-85 -136.2 92.81 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 61.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.89 -115.99 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.692 -0.765 . . . . 71.32 112.522 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.33 6.61 44.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 73.03 110.912 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.34 131.83 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.21 110.889 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.707 HG11 ' OE1' ' A' ' 71' ' ' GLU . 92.9 t -99.48 137.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.11 111.143 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' HB3' ' CAX' ' A' ' 174' ' ' DTF . 48.8 mt-30 -117.36 173.53 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.897 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.436 ' NE2' ' OE2' ' A' ' 71' ' ' GLU . 6.6 m80 -137.52 171.94 13.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.22 110.859 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -144.22 119.32 10.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.477 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -70.48 115.12 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.879 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.57 128.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.52 111.157 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 119' ' ' PHE . 3.9 mm? -92.95 137.52 32.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -132.29 132.92 43.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.84 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.81 171.6 19.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 43.34 110.853 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.602 ' O ' ' HB2' ' A' ' 115' ' ' ALA . . . 80.75 -46.16 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 73.53 112.52 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 114' ' ' GLY . . . 167.73 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 70.12 111.117 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -160.41 19.86 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 72.53 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -92.09 133.4 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 70.02 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.462 ' CD1' ' HG2' ' A' ' 112' ' ' ARG . 9.2 m-85 -101.43 161.36 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 71.24 110.921 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 8.9 p90 -171.4 159.77 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.798 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -159.99 160.91 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.01 110.919 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.537 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 98.5 m95 40.28 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 120' ' ' LEU . 13.8 t -141.17 69.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.52 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 p -179.8 152.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.164 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 156.42 45.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.891 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.458 ' CG ' ' HB3' ' A' ' 130' ' ' GLU . 61.2 m-85 -156.41 179.29 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.884 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.408 HD22 ' N ' ' A' ' 126' ' ' ASN . 1.8 m-80 -97.75 -43.5 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.61 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.876 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 95' ' ' PHE . 15.3 mt -67.9 -34.73 77.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.939 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.28 -39.56 60.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.928 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -58.08 -27.4 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 70.11 110.908 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.68 HD21 HD12 ' A' ' 120' ' ' LEU . 7.5 mp -80.44 -44.4 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 61.04 110.938 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 83' ' ' PHE . 18.7 t -57.47 -49.49 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 55.21 111.119 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.85 -54.13 30.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 43.14 110.863 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.444 ' HE1' HG21 ' A' ' 138' ' ' THR . 7.0 t80 -45.74 -53.16 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.915 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.53 ' HA ' HG22 ' A' ' 138' ' ' THR . 40.4 m80 -66.54 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.808 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.856 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.0 t -99.7 -28.0 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 70.13 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 135' ' ' HIS . 3.9 t -108.56 154.18 22.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.094 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.6 t -46.37 167.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.437 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 35.3 m -132.72 -37.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 70.51 111.161 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 40.9 p -94.78 163.06 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.855 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -102.47 21.62 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.864 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -128.01 -48.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -179.88 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.924 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -100.32 76.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.92 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 147' ' ' PHE . 34.7 mt -99.81 158.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.0 m-85 -130.27 165.46 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.506 HD22 ' CG2' ' A' ' 99' ' ' VAL . 13.0 mt -75.15 109.11 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 61.33 110.888 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -86.24 143.99 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -57.4 124.97 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.903 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.681 HG13 HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -101.5 149.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.105 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 151' ' ' ILE . 0.1 OUTLIER -59.69 103.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.886 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -101.05 154.06 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.918 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.4 p -43.03 127.82 3.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 31.21 111.131 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.49 45.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 42.1 112.363 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -171.02 85.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.939 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.24 117.33 3.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.24 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.65 30.32 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.692 2.262 . . . . 33.12 112.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.139 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 65.24 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -94.28 138.12 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.626 ' CE1' HD12 ' A' ' 84' ' ' LEU . 14.7 m-85 -125.15 131.73 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.871 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -49.1 -91.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 73.12 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 101.42 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.696 0.284 . . . . 74.32 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.748 HD11 HD21 ' A' ' 84' ' ' LEU . 1.2 pt -129.12 137.22 30.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 71.34 111.126 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.73 145.17 56.49 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.282 . . . . 74.0 112.31 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 2.3 ptm180 -36.23 -45.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 73.31 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -54.56 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.35 111.076 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -49.79 -38.02 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 53.54 110.94 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.26 94.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 31.12 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 1.6 mt-10 -68.44 -25.06 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.906 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.95 -40.55 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.21 -36.29 83.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.909 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 82' ' ' ALA . 15.3 mt -85.66 -47.32 9.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 54.14 110.919 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 29.6 t -51.32 -44.72 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 43.22 110.851 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -58.89 -26.53 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 62.03 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 151' ' ' ILE . 54.1 mm-40 -61.41 164.46 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -105.39 -30.28 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 54.22 110.875 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -74.78 177.27 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.825 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.91 107.96 12.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 65.43 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.7 16.73 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 63.11 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.554 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.35 124.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.22 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.819 ' HB2' HD21 ' A' ' 97' ' ' LEU . 19.5 p90 -106.9 150.7 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.837 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.923 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -159.91 113.79 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.93 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.4 mt -88.12 129.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.12 144.65 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.6 139.3 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 157.31 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.868 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.85 -49.47 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.856 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -10.77 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.863 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . . . -123.47 89.76 50.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.555 0.693 . . . . 74.3 111.074 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.76 124.69 11.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.14 112.327 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.1 7.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.479 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.68 128.46 36.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 64.31 110.859 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 46.1 m-85 -106.92 142.76 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.2 t -138.79 115.16 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 53.2 110.884 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' HB2' ' A' ' 83' ' ' PHE . 2.6 tm? -88.21 128.07 35.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.24 110.929 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.521 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -114.01 110.13 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.618 HG11 ' CE2' ' A' ' 101' ' ' PHE . 1.2 t -110.51 127.69 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 72.3 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 29.0 tttm -85.2 116.43 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.618 ' CE2' HG11 ' A' ' 99' ' ' VAL . 9.4 m-85 -114.61 96.64 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.36 -121.25 26.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 42.13 112.493 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.69 22.68 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.44 110.842 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.3 110.74 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 71.52 110.892 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.504 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.07 120.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.11 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' C ' ' CD2' ' A' ' 107' ' ' HIS . 2.1 mm-40 -101.78 173.83 6.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -143.66 164.19 31.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.838 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -135.14 128.46 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -77.34 116.95 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.904 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.17 119.2 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.33 111.113 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 111' ' ' LEU . 3.0 mm? -89.93 143.56 26.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.911 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -136.9 174.36 10.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.887 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.13 -167.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.849 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.73 31.29 6.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 60.05 112.473 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.06 10.14 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.01 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.39 36.14 50.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 71.01 112.514 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.336 . . . . 64.2 110.857 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -114.47 155.21 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.1 OUTLIER -171.39 163.33 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.853 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.8 -88.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 60.3 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.482 ' CZ2' ' HB1' ' A' ' 174' ' ' DTF . 17.5 m95 -78.1 -145.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.863 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 122' ' ' VAL . 33.8 m -76.29 46.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.11 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.614 HG13 ' CZ ' ' A' ' 125' ' ' PHE . 5.1 p -163.06 152.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 52.15 111.14 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.455 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -126.2 175.45 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.825 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.69 ' HB2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -155.3 168.65 26.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.887 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.87 -42.53 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.868 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.2 t -127.55 167.06 16.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.41 110.83 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 70.2 mt -70.8 -56.6 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' ND2' ' A' ' 129' ' ' ASN . 0.3 OUTLIER -40.63 -35.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.892 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.05 -43.03 99.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.14 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 125' ' ' PHE . 5.3 mp -66.04 -49.52 67.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.928 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.528 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 82.7 t -53.08 -42.11 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.093 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.46 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.32 -23.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.929 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 148' ' ' LEU . 19.8 m170 -79.15 -35.25 42.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 51.35 110.849 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -21.81 51.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 43.33 110.878 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 t -89.08 -30.45 18.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.2 m -123.04 147.84 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 62.14 111.164 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 79.1 p -41.75 159.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 50.13 110.832 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.9 -35.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.129 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 p -84.73 141.24 30.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.872 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 21.75 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.53 -54.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 54.14 110.869 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.51 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.23 110.909 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -109.67 88.57 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.33 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 147' ' ' PHE . 18.7 mt -131.09 163.9 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.112 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.557 ' N ' HG22 ' A' ' 146' ' ' ILE . 25.4 m-85 -122.85 173.74 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 135' ' ' HIS . 57.0 mt -84.03 109.2 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 53.13 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -79.95 138.45 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.53 110.851 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.09 110.34 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.866 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -68.39 143.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.31 111.133 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.51 84.65 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.897 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 154' ' ' VAL . 0.3 OUTLIER -63.69 164.0 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.943 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 153' ' ' GLN . 2.7 p -36.22 129.93 0.64 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 61.41 111.172 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 146.0 58.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 72.03 112.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -178.76 91.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.7 129.88 86.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 62.34 110.89 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.68 20.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 73.43 112.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 65.43 111.121 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.482 ' HB1' ' CZ2' ' A' ' 121' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.887 ' CZ2' HG11 ' A' ' 132' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 74.02 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.5 t80 -123.68 151.06 43.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.847 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 84' ' ' LEU . 15.3 m-85 -133.8 139.27 46.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.872 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.53 112.64 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 31.43 112.528 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 89' ' ' GLU . 2.3 mppt? 44.63 96.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 73.43 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 86' ' ' ARG . 1.5 pp -145.24 136.27 12.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 64.3 111.112 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.4 45.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 70.24 112.348 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -35.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.905 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.83 80.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 45.35 111.04 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -45.15 87.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 74.35 110.867 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -55.04 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 74.54 111.069 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.25 -36.04 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.885 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.34 -47.41 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.827 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 76' ' ' LYS . 36.4 mmt -54.26 -34.0 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 62.42 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 82' ' ' ALA . 8.6 mt -83.26 -50.28 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 71.24 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -50.09 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 73' ' ' MET . 2.0 ptpt -48.09 -29.19 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.901 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 151' ' ' ILE . 40.9 mm-40 -66.28 -179.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.943 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -128.15 -33.31 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.1 110.909 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -65.98 -169.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.825 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -127.89 124.92 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 149' ' ' ARG . . . 112.38 19.69 6.97 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 71.22 112.512 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 74' ' ' LEU . . . -59.02 106.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 72.22 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -104.33 150.91 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.916 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.9 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -157.45 126.95 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 62.05 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.83 HD12 ' CZ3' ' A' ' 60' ' ' TRP . 56.6 mt -101.13 129.13 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.163 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HB3' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -113.67 154.35 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.866 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.15 147.34 44.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.909 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -62.33 176.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.857 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -100.81 -36.8 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.21 110.904 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.54 14.07 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.84 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 88' ' ' SER . . . -125.37 94.67 42.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 74.33 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ALA . 53.4 Cg_endo -69.79 130.68 19.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 75.31 112.363 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.0 -1.44 67.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 51.55 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.0 109.01 18.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 61.34 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.709 ' CG ' HD11 ' A' ' 128' ' ' LEU . 72.5 m-85 -117.96 137.62 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.22 110.924 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t -135.0 124.06 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 98' ' ' SER . 3.2 tm? -87.99 138.0 31.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.816 ' N ' HD13 ' A' ' 97' ' ' LEU . 14.5 m -129.49 108.39 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.869 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.594 HG11 ' CE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -111.74 147.82 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 72.14 111.11 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.17 123.53 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.889 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.594 ' CE2' HG11 ' A' ' 99' ' ' VAL . 12.5 m-85 -129.09 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 63.34 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -126.51 19.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 55.1 112.448 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.03 25.7 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.36 . . . . 74.11 110.909 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -147.69 126.67 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.0 t -86.63 113.38 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 64.35 111.148 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' OE1' ' CAV' ' A' ' 174' ' ' DTF . 3.2 mm-40 -94.38 173.16 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.896 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.25 168.42 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.828 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -144.93 115.59 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.467 ' N ' HAR1 ' A' ' 174' ' ' DTF . 0.0 OUTLIER -65.1 110.67 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.869 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.493 ' C ' HD22 ' A' ' 111' ' ' LEU . 57.4 t -76.04 131.39 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.131 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.692 HD11 ' CAT' ' A' ' 174' ' ' DTF . 3.0 mm? -109.8 151.47 26.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -150.68 158.34 44.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.897 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.34 172.03 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.98 34.76 2.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 73.43 112.517 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.69 -39.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 63.3 111.075 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.32 32.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 35.23 112.429 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.62 134.38 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 73.51 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HH ' ' HE2' ' A' ' 95' ' ' PHE . 87.7 m-85 -104.39 158.21 16.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -171.08 167.88 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.54 110.913 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.76 -77.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.582 ' CZ2' ' HD2' ' A' ' 142' ' ' ARG . 95.7 m95 -97.59 -67.5 0.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.922 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.26 -31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 53.41 111.104 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 148.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 71.2 111.163 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.0 OUTLIER -138.04 172.91 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.895 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -158.0 170.78 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.35 110.866 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.17 -55.08 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.92 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.9 p -111.54 157.96 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.81 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.709 HD11 ' CG ' ' A' ' 95' ' ' PHE . 70.3 mt -62.58 -23.76 67.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 75.11 110.956 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.418 ' O ' HG22 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -58.82 -34.96 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 62.01 110.875 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 125' ' ' PHE . 0.1 OUTLIER -66.2 -22.57 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.12 110.898 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -56.59 4.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.921 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.887 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 21.7 m -49.39 -42.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.126 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ARG . 18.6 t70 -76.46 -62.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.899 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 130' ' ' GLU . 20.1 t80 -37.18 -45.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.949 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.492 ' HB2' HD12 ' A' ' 148' ' ' LEU . 83.4 m-70 -80.5 -30.97 37.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.824 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 133' ' ' ASP . 13.9 ttm180 -54.97 -28.84 54.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.871 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -113.35 -19.7 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.903 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 17.3 m -112.38 142.17 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 63.41 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -44.16 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.7 p -163.64 -35.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.3 t -85.76 126.08 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 63.15 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 121' ' ' TRP . 0.1 OUTLIER -81.09 -1.03 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 70.13 110.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -54.85 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.885 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.18 -172.99 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 53.23 110.878 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.67 72.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 101' ' ' PHE . 85.3 mt -119.5 151.96 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.183 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -112.86 170.91 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.937 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 135' ' ' HIS . 15.7 mt -78.81 108.61 12.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.931 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.412 ' HB3' ' C ' ' A' ' 81' ' ' GLY . 4.8 tpt180 -90.68 113.75 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.71 117.88 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 72.12 110.851 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 77' ' ' GLN . 6.5 tt -68.45 152.76 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.01 111.128 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.46 103.93 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.843 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.451 ' HG3' HG12 ' A' ' 154' ' ' VAL . 31.3 tp60 -52.29 168.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 65.13 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.459 HG23 ' HD2' ' A' ' 155' ' ' PRO . 2.9 p -37.68 133.27 0.83 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 54.4 111.106 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 154' ' ' VAL . 53.9 Cg_endo -69.72 147.85 64.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 73.33 112.35 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.26 81.02 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.93 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -155.62 153.9 27.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 75.51 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 159' ' ' THR . 53.4 Cg_endo -69.79 174.09 10.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.727 2.285 . . . . 74.4 112.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 158' ' ' PRO . 54.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.182 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' DTF . . . . . 0.692 ' CAT' HD11 ' A' ' 111' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_