data_2ctk_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 2ctk _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 ' 15' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 85.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.674 0.749 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.348 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 71' ' ' LEU . 3.0 m -147.06 150.37 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -94.41 137.6 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.0 pt -120.81 -176.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -130.62 129.0 42.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.1 t -122.28 132.73 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.14 117.49 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -154.39 134.33 7.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 130.08 18.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.5 -18.9 21.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.85 -16.41 63.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 92.0 mt -100.03 -30.9 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.0 m170 -38.93 -64.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -39.85 -35.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -81.32 -34.57 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' HIS . 61.3 t -69.49 -50.74 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.031 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -50.88 -34.52 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.76 -35.65 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtp -75.42 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 58.8 mtm -45.06 -29.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -62.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -73.41 -6.2 44.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 54.55 53.67 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -136.4 -178.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -125.9 117.96 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.61 130.92 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -123.68 125.78 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 98.2 t -102.52 138.76 19.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.66 163.52 3.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -31.22 21.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.75 -10.75 59.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.98 -30.43 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 57.46 35.88 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -94.98 140.98 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.58 15.08 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 63' ' ' ALA . 55.3 mt -83.11 138.44 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -101.48 128.31 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mt -121.42 120.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 66' ' ' GLY . 29.2 m -99.38 140.18 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 65' ' ' THR . . . 155.51 175.31 26.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' ASN . 90.8 mt -65.31 135.46 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.87 -34.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.043 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -44.57 75.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -72.69 -37.52 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 17' ' ' VAL . 14.3 mt -58.71 -34.23 71.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -58.4 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 1.7 ptp180 -57.21 -43.92 83.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.89 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -50.35 -36.31 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.09 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.07 -44.44 60.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.52 -58.73 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.07 -49.52 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.9 -36.94 81.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 tpt85 -64.76 -35.46 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.44 -44.6 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -65.55 -35.76 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -78.87 -32.62 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.1 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.8 177.8 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 159.97 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -101.31 134.84 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 pt -123.38 175.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -121.27 136.43 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -129.68 116.32 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -68.01 112.83 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 98.0 t -148.46 138.45 12.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 54.4 Cg_endo -69.67 126.63 13.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.419 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 9.4 t80 -53.37 -36.01 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.76 -20.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 74.7 mt -96.61 -34.44 11.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 29.8 m170 -37.53 -58.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -45.65 -39.35 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' LEU . 16.8 m-85 -77.73 -41.52 37.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.16 -53.52 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -50.28 -53.11 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -46.99 -46.16 21.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.0 mtp -66.43 -62.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 70.8 mtm -43.99 -47.74 8.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -36.59 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -67.68 -57.71 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -90.11 11.63 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' MET . 4.8 mm-40 41.97 36.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 34.6 m -106.75 -176.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -131.93 116.84 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.36 130.67 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -123.32 125.58 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 92.9 t -107.49 138.65 20.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.1 Cg_endo -69.72 132.49 23.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -54.99 166.58 0.77 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.8 Cg_endo -69.78 -19.04 36.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 0.0 112.335 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.04 -29.46 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.32 -24.27 59.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 50.85 52.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 144.19 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.76 11.77 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 mm -102.84 109.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -88.36 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.62 128.76 52.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.42 119.24 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -96.3 136.23 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.03 172.91 31.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 85.9 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.44 -41.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -53.48 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.463 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.3 m-20 -59.32 -46.19 89.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.56 -43.03 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -55.85 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.76 -57.02 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -59.99 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -44.64 -44.68 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.86 84.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -69.0 -60.05 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -45.25 -46.39 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.43 -40.19 89.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -57.82 -38.41 75.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.442 ' CG2' HG11 ' A' ' 23' ' ' VAL . 95.4 t -69.09 -56.16 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -51.23 -34.42 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -41.29 20.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.8 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.584 0.707 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.6 Cg_endo -69.73 179.49 3.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG23 ' CD1' ' A' ' 71' ' ' LEU . 4.2 m -145.57 156.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 m -101.29 128.74 47.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -111.69 -175.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -139.08 130.3 26.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.61 149.48 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.11 108.12 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -147.49 132.58 9.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.81 135.04 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.15 -19.29 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.5 -11.75 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 91.8 mt -105.19 -30.19 9.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -40.88 -51.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -49.03 -37.75 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -82.3 -38.95 23.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.77 -56.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ARG . 62.1 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 43' ' ' MET . 1.4 tpm_? -35.3 -48.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -51.56 -50.38 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.2 mtm -62.81 -52.9 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' HE2' ' CZ ' ' A' ' 40' ' ' ARG . 24.8 mtm -51.18 -41.74 60.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.16 -46.43 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.58 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 46.7 m-85 -76.9 -0.75 25.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 50.01 47.25 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 18.3 m -125.81 179.01 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -126.39 115.58 19.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.3 mt -102.77 129.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -114.39 130.75 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 84.9 t -109.96 138.69 20.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.8 141.55 45.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.709 2.272 . . . . 0.0 112.316 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.97 161.63 53.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -18.52 36.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -22.91 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.9 mt -87.08 -21.6 25.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.3 50.7 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -106.19 138.3 42.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.27 19.78 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -119.89 117.22 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -92.76 139.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.55 127.46 53.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.1 mt -115.91 131.09 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -107.61 137.64 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' N ' HD23 ' A' ' 71' ' ' LEU . . . 160.31 176.19 32.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.7 mt -67.24 136.69 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.65 -36.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.02 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.466 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 7.9 m-20 -62.55 -44.56 96.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 66' ' ' GLY . 18.9 mt -50.61 -37.77 42.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.47 -43.86 96.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.509 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.6 mtp85 -70.6 -53.74 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -54.46 -57.41 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -48.28 -41.56 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.45 78.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.04 -37.52 82.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.81 -51.8 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.11 -26.75 66.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -72.88 -33.85 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 27' ' ' LEU . 90.7 t -72.76 -42.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -65.51 -37.48 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.33 -49.56 11.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 10.3 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.623 0.725 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.73 179.26 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.26 152.76 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.5 m -97.81 139.62 33.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -121.93 -177.71 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -129.14 126.32 39.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -118.82 125.41 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.52 110.14 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.2 t -150.3 130.86 7.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.74 133.39 25.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 22.7 t80 -57.59 -18.69 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.72 -12.93 61.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 85.0 mt -104.46 -28.29 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 47.5 m170 -42.77 -61.76 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -44.08 -32.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.29 -32.4 26.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.9 t -74.95 -59.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.904 0.383 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -46.43 -26.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -45.48 78.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 82.8 mtp -68.67 -55.78 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.5 mtm -47.56 -28.03 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.95 -42.69 12.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.49 -57.59 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 74.9 m-85 -83.04 3.9 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 47.22 42.82 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.81 -179.51 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.39 115.58 19.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -99.33 133.43 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -120.3 131.19 54.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -108.9 138.8 20.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.78 137.39 35.31 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 157.09 20.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 -11.86 31.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.47 -8.36 53.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -97.2 -26.61 14.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 58.59 37.11 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -90.97 138.73 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.39 21.3 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -123.7 116.95 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 63' ' ' ALA . 59.1 mt -90.01 137.19 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -99.35 126.6 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.0 mt -119.47 128.22 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 66' ' ' GLY . 34.8 m -104.77 142.54 34.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' HG21 ' A' ' 65' ' ' THR . . . 158.4 169.48 21.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ASN . 59.8 mt -62.87 138.35 58.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.63 -36.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.94 57.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.8 m-20 -65.44 -45.11 85.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.9 mt -50.25 -35.77 28.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.96 -51.61 60.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 9.6 mtt180 -60.66 -57.64 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -61.36 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -46.37 -42.77 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.89 -44.67 29.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.58 -52.52 60.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -45.71 -49.97 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.69 -40.8 96.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.19 -36.17 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 27' ' ' LEU . 68.9 t -70.17 -50.06 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -56.08 -33.91 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.49 -51.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.578 0.704 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.87 179.66 3.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 71' ' ' LEU . 3.3 m -146.0 152.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -94.54 139.37 31.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.13 178.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.48 132.61 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.99 142.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -86.61 107.05 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -146.55 129.89 8.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.58 33.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.489 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.4 t80 -60.4 -12.88 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.69 -11.32 60.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -109.29 -23.98 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 27.9 m170 -41.84 -59.45 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -46.43 -30.55 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -86.35 -31.4 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -71.5 -50.84 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' CE ' ' A' ' 43' ' ' MET . 60.1 mtt180 -41.53 -42.01 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.6 -53.18 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 mtm -65.63 -47.36 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 40' ' ' ARG . 60.8 mtm -53.06 -25.2 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.14 -28.71 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -78.73 -55.72 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.05 -7.68 59.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 62.1 27.57 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -107.38 -175.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -132.77 112.91 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.8 mt -97.55 130.11 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -120.03 129.52 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 98.8 t -110.38 138.85 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.74 135.11 29.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.63 1.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.77 -23.33 30.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.29 -21.17 50.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.9 mt -80.27 -25.82 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 51.26 48.6 22.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -108.44 146.2 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.24 20.63 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mm -120.38 116.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 63' ' ' ALA . 74.2 mt -91.06 141.42 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -107.2 127.65 53.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mt -119.22 129.59 75.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.0 m -104.57 138.32 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 174.51 30.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.6 mt -69.05 138.22 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.727 0.299 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.21 -42.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.21 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.2 m-20 -69.33 -48.4 61.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 17' ' ' VAL . 14.0 mt -47.8 -42.25 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -50.27 74.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -65.54 -55.59 16.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.8 -59.19 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -45.18 -44.66 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.07 -36.14 70.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.43 -49.01 67.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.7 -52.21 65.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.29 -53.66 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.58 -35.15 80.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.79 -31.73 73.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.61 -47.58 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -61.25 -30.5 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -86.05 -44.69 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 4.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.617 0.722 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -145.96 162.73 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 m -102.09 139.88 37.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.59 -178.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -128.54 130.05 46.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -125.42 124.21 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -68.26 113.67 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -151.24 129.77 6.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.736 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.14 -24.5 54.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.18 -9.38 22.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -104.87 -31.75 9.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.473 ' CE1' HG11 ' A' ' 52' ' ' VAL . 39.7 m170 -39.63 -63.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -39.42 -38.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.93 -42.84 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -59.09 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.431 ' CG1' HD11 ' A' ' 39' ' ' ILE . 14.2 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.431 HD11 ' CG1' ' A' ' 32' ' ' ILE . 77.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 10.4 tpt180 -37.88 -57.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ARG . 28.8 tttt -35.39 -48.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 84.3 mtp -68.06 -55.28 13.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.1 mtm -48.21 -33.63 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -82.67 -48.69 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.47 -59.57 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 68.5 m-85 -81.48 9.34 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 41.26 46.5 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.45 -179.99 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -129.79 114.72 16.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.5 mt -94.2 131.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.0 126.26 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.473 HG11 ' CE1' ' A' ' 28' ' ' HIS . 89.8 t -107.82 138.82 20.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.8 142.06 46.76 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.93 160.02 41.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 111.1 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.15 34.32 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -82.21 -14.45 55.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -96.62 -19.62 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.48 49.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -104.22 148.33 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.65 22.02 13.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mm -119.81 116.65 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 63' ' ' ALA . 70.6 mt -91.94 141.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -107.26 123.79 48.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.37 130.77 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 m -102.59 143.88 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.38 170.72 20.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.428 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.4 mt -66.41 141.72 57.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.31 -40.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -53.45 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -61.12 -46.94 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.16 -41.71 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.0 -53.62 51.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -58.41 -57.18 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -55.7 -53.11 60.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.28 -49.03 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.43 -20.26 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.04 -43.66 7.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.06 -50.03 63.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.79 -44.89 14.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.77 -37.89 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -62.6 -37.16 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.4 t -71.47 -50.97 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -55.04 -38.89 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -49.02 20.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 14.5 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.682 0.754 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.82 179.38 3.77 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.97 155.73 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 m -95.89 146.07 24.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 pt -129.64 -175.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.64 130.94 38.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.0 121.6 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.7 112.87 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -150.71 129.97 6.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.77 134.47 28.06 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.726 2.284 . . . . 0.0 112.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.5 t80 -57.05 -24.75 56.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.92 -13.51 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 70.2 mt -102.39 -32.1 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' HG12 ' A' ' 52' ' ' VAL . 51.9 m170 -40.08 -60.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -42.28 -36.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -81.92 -38.73 24.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.56 -60.14 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 41.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 94.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ILE . 9.7 tpt180 -38.18 -45.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -38.72 -54.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.9 mtp -64.29 -60.88 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.9 mtm -43.83 -29.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -88.65 -37.26 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.03 -60.62 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -79.83 11.35 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 36.83 53.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.02 177.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -123.72 118.23 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.35 137.43 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -131.01 123.3 28.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.558 HG12 ' CE1' ' A' ' 28' ' ' HIS . 55.5 t -105.86 137.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.66 135.69 31.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.05 161.52 2.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.705 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -18.34 37.38 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.45 -21.61 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -85.53 -26.63 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 58.02 38.81 26.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 138.38 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.17 22.93 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.2 mm -120.28 122.73 69.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 63' ' ' ALA . 65.9 mt -98.78 138.82 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -100.86 127.4 47.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.7 mt -120.13 129.03 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -106.46 141.14 38.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.16 176.5 31.28 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ASN . 71.9 mt -67.61 136.15 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.88 -43.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.3 94.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 67' ' ' LEU . 28.3 m-20 -68.47 -49.37 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.94 -38.34 7.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -56.69 12.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -58.01 -55.68 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -61.88 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -44.47 -39.23 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.38 94.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.52 -38.72 93.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.06 -52.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -43.01 34.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.94 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -64.15 -36.7 84.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.9 t -74.21 -40.83 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.84 -26.75 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -93.2 -32.5 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.1 p . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.84 178.59 4.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.82 160.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -96.35 136.81 36.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.415 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 12.6 pt -117.96 -175.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.49 125.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.53 133.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.49 115.59 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG21 ' CG2' ' A' ' 82' ' ' VAL . 50.7 t -154.36 129.48 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 136.05 31.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 20.0 t80 -58.16 -20.89 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -66.65 -11.89 55.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -105.44 -29.7 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 m170 -42.63 -60.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -43.93 -31.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.58 -37.01 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.447 HG11 ' CG1' ' A' ' 39' ' ' ILE . 79.5 t -67.66 -62.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.447 ' CG1' HG11 ' A' ' 31' ' ' VAL . 92.5 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.78 -51.41 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 42' ' ' MET . 7.0 tmtt? -43.19 -44.06 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.467 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 62.6 mtp -71.59 -56.24 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 mtm -45.8 -30.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.97 -41.5 14.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.75 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -75.69 -5.19 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 54.32 49.73 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.5 m -132.88 176.89 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -122.47 113.13 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.3 mt -95.17 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -125.42 127.28 46.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 96.6 t -110.2 138.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.74 138.21 37.34 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 164.43 6.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.625 0.726 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.15 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.21 -10.8 60.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.74 -24.78 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 51.68 49.78 20.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -105.01 148.47 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -115.15 19.34 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -119.03 119.9 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 63' ' ' ALA . 69.3 mt -95.81 143.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -108.78 129.71 55.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.415 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 34.0 mt -120.33 121.16 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 66' ' ' GLY . 72.3 m -96.15 139.81 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' HG21 ' A' ' 65' ' ' THR . . . 156.12 173.99 25.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' ASN . 96.9 mt -66.42 138.06 57.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.16 -34.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -71.15 -47.65 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 m-20 -66.15 -37.89 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.72 -35.3 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.67 -56.49 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -57.48 -42.57 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.97 -57.47 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -50.16 -35.72 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.88 64.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ARG . 15.2 tp -63.17 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 79.3 mt -39.06 -47.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.55 -38.63 77.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 3.6 tpt180 -59.86 -33.58 71.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' CG2' HG21 ' A' ' 23' ' ' VAL . 49.6 t -72.94 -45.77 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -59.53 -34.07 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -84.52 -43.03 14.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.655 0.74 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.82 177.33 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 71' ' ' LEU . 5.3 m -147.58 149.64 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -93.71 134.54 35.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.7 -179.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -131.43 129.11 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -119.78 136.49 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.12 106.26 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -143.95 127.6 9.02 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 132.9 24.17 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.434 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 18.4 t80 -55.27 -29.22 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.41 -18.16 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.18 -30.84 11.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 26.0 m170 -40.91 -58.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -38.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -81.85 -40.83 21.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.86 -56.58 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -43.45 -36.65 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -55.25 -42.92 74.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' GLU . 43.5 mtp -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.3 mtm -45.06 -30.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.24 -29.63 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' MET . 5.1 tp10 -81.69 -62.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 86.4 m-85 -76.95 -0.45 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 52.84 48.84 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.3 177.42 6.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -123.24 125.64 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.6 mt -112.11 130.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -120.2 123.83 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 86.4 t -104.01 138.64 19.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.3 Cg_endo -69.7 132.46 23.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.46 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.739 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 54.4 Cg_endo -69.74 -30.87 21.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -66.58 -22.98 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.94 -21.37 26.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 47.05 51.16 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -104.62 150.24 24.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.51 20.04 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -118.7 117.73 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 63' ' ' ALA . 43.7 mt -92.92 138.45 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -104.1 128.69 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.08 122.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 66' ' ' GLY . 24.5 m -99.15 143.09 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' HG21 ' A' ' 65' ' ' THR . . . 155.81 177.13 28.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 66.2 mt -68.56 136.31 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.8 -41.32 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.75 80.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.5 m-20 -66.66 -45.42 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 17' ' ' VAL . 16.4 mt -50.82 -40.61 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -50.33 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.1 mtm180 -64.66 -55.51 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.1 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -45.21 -41.13 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.57 -47.16 58.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.406 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.06 -56.03 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 mt -48.99 -45.12 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.81 -35.77 82.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -65.3 -40.4 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.18 -45.51 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -64.55 -30.43 71.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -85.33 -37.82 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.676 0.75 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.73 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.383 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.02 153.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 m -97.34 135.73 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 34.0 pt -117.83 176.75 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.175 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -126.08 125.37 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.16 124.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.0 106.61 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -145.43 133.47 10.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.675 0.75 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.41 35.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 29.8 t80 -60.87 -16.82 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.48 -16.41 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.7 mt -101.27 -26.88 13.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -44.02 -55.23 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -48.31 -33.47 8.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -80.88 -39.88 25.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.92 -55.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -41.82 -49.49 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -39.28 -56.71 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mtp -58.35 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -44.48 -27.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.53 -28.31 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -85.85 -60.72 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.08 -11.73 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.28 53.6 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.424 ' CG1' ' CB ' ' A' ' 70' ' ' ASN . 1.3 m -134.66 178.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -120.13 119.85 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -108.41 135.68 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -126.08 121.32 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.06 133.58 20.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 134.84 28.7 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -62.05 168.23 4.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.71 -23.19 31.3 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.403 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 -15.9 61.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 49.56 45.59 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 140.62 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.33 23.44 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -124.71 118.53 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 63' ' ' ALA . 58.4 mt -92.12 137.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -100.55 125.09 46.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 19.7 mt -119.58 118.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 66' ' ' GLY . 57.5 m -98.84 139.62 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 65' ' ' THR . . . 158.19 179.07 32.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ALA . 55.5 mt -68.17 135.92 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.26 -26.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -78.85 -44.78 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -70.81 -29.18 65.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.08 -34.7 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.86 -58.66 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -58.74 -43.9 90.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -53.23 -35.28 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.35 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.42 -40.59 23.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ARG . 12.3 tp -63.86 -58.75 5.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.1 mt -42.15 -49.19 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -69.86 -26.09 64.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tpt180 -75.26 -32.88 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.69 -39.93 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -69.93 -32.09 70.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -82.28 -55.67 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 -178.76 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.56 153.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 m -95.24 132.59 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.99 -179.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.39 126.56 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -119.27 139.18 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -83.67 105.23 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -142.14 130.93 11.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.742 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.47 25.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.464 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 28.7 t80 -58.35 -17.52 20.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.39 -18.9 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' TYR . 95.9 mt -101.45 -28.25 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 48.5 m170 -37.74 -58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -47.85 -36.98 12.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LEU . 24.4 m-85 -82.63 -28.7 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.32 -51.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.195 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -40.49 -41.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -53.91 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -45.04 79.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.1 mtm -55.28 -30.6 60.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -23.85 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -88.23 -61.65 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 42.2 m-85 -75.06 -3.35 32.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 50.07 50.41 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.85 -175.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.15 122.54 35.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 51' ' ' HIS . 73.9 mt -110.04 134.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' N ' HG23 ' A' ' 50' ' ' ILE . 3.2 m-70 -123.21 142.55 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 87.8 t -122.68 138.66 29.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 134.92 29.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -59.47 168.26 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.75 -27.02 27.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.61 -34.78 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.8 -27.95 60.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 52.2 54.37 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -110.63 150.33 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.91 25.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.18 117.78 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.5 mt -94.94 138.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.1 131.57 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.76 123.22 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -99.03 133.12 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.91 169.48 28.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ALA . 79.7 mt -63.15 140.49 58.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -37.55 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.18 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.99 -51.02 69.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -45.35 -39.55 6.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -50.84 72.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.6 mtt180 -64.49 -50.67 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -46.17 -38.7 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.85 90.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.88 -55.86 10.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.13 -54.38 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.5 mt -45.95 -61.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -49.91 -47.35 52.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 5.2 tpt85 -47.6 -42.51 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -73.65 -34.5 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -70.16 -33.01 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -85.54 -52.12 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 34.6 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.518 0.675 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.7 -175.72 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -143.29 158.21 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 m -98.04 131.39 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.9 pt -114.79 -177.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.65 131.31 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' CG2' HD12 ' A' ' 64' ' ' ILE . 4.1 t -124.95 127.18 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.95 110.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.0 t -146.02 130.82 8.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.06 22.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -56.18 -21.29 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.68 -11.49 54.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.5 mt -106.08 -27.96 10.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.556 ' CE1' HG12 ' A' ' 52' ' ' VAL . 27.5 m170 -43.31 -60.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 16.8 ptt180 -47.33 -27.31 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 11.3 m-85 -90.54 -31.63 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' CG1' ' A' ' 39' ' ' ILE . 77.2 t -73.82 -53.18 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.401 ' CG1' HG12 ' A' ' 31' ' ' VAL . 73.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -52.91 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -44.89 -48.52 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.3 mtm -68.9 -36.55 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.0 mtm -65.88 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.14 -38.6 17.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.09 -49.0 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.43 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 39.4 m-85 -89.85 8.92 29.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 45.8 31.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 46' ' ' PHE . 9.7 m -116.08 177.22 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -131.18 113.37 13.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.9 mt -81.08 148.73 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' ALA . 2.4 t-160 -131.06 110.89 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 28' ' ' HIS . 42.0 t -103.57 134.68 19.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.641 0.734 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 142.59 48.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.4 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 163.43 21.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -22.07 32.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -78.32 -14.94 59.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -88.06 -27.42 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.54 47.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -113.13 148.59 35.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -116.42 25.28 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -117.83 116.76 52.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -94.68 142.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 51' ' ' HIS . . . -108.87 127.05 53.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 HD12 ' CG2' ' A' ' 21' ' ' VAL . 27.3 mt -113.57 134.86 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -109.64 134.55 51.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.19 169.07 23.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASN . 82.3 mt -62.26 140.62 58.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.48 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -77.67 -44.76 27.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 m-20 -69.79 -29.0 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.9 -30.03 69.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.35 -61.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -59.2 -29.75 67.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -78.7 -53.08 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -57.86 -30.96 66.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.11 96.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.036 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.36 -51.37 56.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.58 -58.58 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.3 mt -47.28 -54.28 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.78 -27.42 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.88 -40.66 75.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.25 -45.32 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -77.83 -51.67 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.643 0.735 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.92 2.1 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.1 157.06 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.4 m -98.32 132.02 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 pt -116.55 -175.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -133.62 131.34 39.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.61 137.82 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.83 115.31 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -154.4 125.12 3.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.547 0.689 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 135.48 30.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 55' ' ' PRO . 26.0 t80 -57.54 -20.49 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -19.46 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' CD1' HG11 ' A' ' 82' ' ' VAL . 46.1 mt -98.11 -29.92 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 22.1 m170 -41.65 -54.13 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -43.82 -35.91 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.04 -40.08 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -56.81 -47.73 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.794 0.33 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -42.87 -46.71 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -44.47 -53.38 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.48 -34.88 79.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 39.5 mtm -65.49 -36.82 85.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.79 -30.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -74.36 -49.92 20.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.478 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 55.5 m-85 -90.51 -7.41 53.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 58.99 45.81 14.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.46 -174.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.1 120.68 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.9 mt -102.81 132.33 49.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -122.22 107.61 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 91.7 t -91.22 138.82 25.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.55 0.69 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.759 2.306 . . . . 0.0 112.301 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -60.42 168.31 2.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.048 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.77 -22.3 32.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.89 -34.06 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.31 -20.1 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 44.56 47.3 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -99.0 149.58 22.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -114.25 18.54 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -123.92 122.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.23 142.61 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.81 123.51 48.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 mt -112.5 126.36 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.3 m -102.12 136.04 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.63 170.26 23.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 77.4 mt -61.41 137.35 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.75 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -75.68 -45.52 36.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.4 m-20 -69.5 -32.61 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.23 -34.28 77.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.92 -58.2 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.418 ' NH2' ' O ' ' A' ' 46' ' ' PHE . 31.1 ptt180 -60.95 -41.68 96.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -65.97 -58.93 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -50.03 -35.63 25.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.01 81.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.65 -46.53 61.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' ARG . 19.6 tp -60.54 -61.31 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.54 -51.07 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.54 -31.3 72.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.7 tpt180 -68.23 -37.23 80.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.424 HG11 ' CD1' ' A' ' 27' ' ' LEU . 89.1 t -71.6 -38.46 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -69.54 -39.37 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.16 -48.82 15.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 60.3 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -171.35 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -146.42 150.73 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -90.72 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -121.52 178.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -126.77 124.08 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 t -116.29 140.48 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.04 106.96 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -147.05 126.33 6.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 136.52 33.01 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 16.5 t80 -55.23 -33.3 62.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.78 -21.66 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 82' ' ' VAL . 56.2 mt -94.92 -33.6 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 30.3 m170 -40.42 -46.79 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -50.97 -39.9 56.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' LEU . 35.9 m-85 -82.96 -40.26 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.98 -58.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.174 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.52 -59.13 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -39.11 -41.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.6 mtp -72.36 -50.42 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLU . 76.7 mtm -53.46 -45.86 69.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.66 76.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.7 -55.91 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 52.1 m-85 -89.65 -0.94 57.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' MET . 72.1 mt-10 57.56 34.87 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.37 177.74 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.26 115.13 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -100.21 129.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.2 130.89 56.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 84.1 t -108.23 138.61 20.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.72 136.54 33.36 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.32 163.48 0.3 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 52.6 Cg_endo -69.8 -29.22 24.03 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.35 -35.34 80.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.71 -18.24 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' PRO . 2.2 mm-40 38.42 47.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -95.74 159.59 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -119.82 19.8 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -119.12 111.22 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.3 mt -88.32 143.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.83 120.97 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.1 mt -114.25 128.35 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.1 m -104.69 139.23 39.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.14 170.36 24.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.412 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.4 mt -63.11 137.86 58.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.16 -41.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -52.48 52.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.69 -48.28 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -47.22 -39.69 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.63 -60.18 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 mtp85 -53.47 -55.9 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -46.53 -42.71 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.5 88.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.69 88.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.36 -55.85 26.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 mt -41.32 -51.58 3.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.27 -41.82 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.07 -37.71 80.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 27' ' ' LEU . 53.8 t -72.81 -39.75 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -68.53 -36.0 78.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.85 -40.97 23.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 84.1 t . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.574 0.702 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.77 177.81 5.21 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.619 2.213 . . . . 0.0 112.394 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.82 159.34 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -104.92 132.52 51.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.35 -179.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -124.31 124.56 42.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 t -115.58 136.07 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -82.91 97.56 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.11 125.7 19.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.592 0.711 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.01 26.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.7 t80 -54.42 -30.9 53.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.44 -18.53 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -98.62 -33.07 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 18.6 m170 -39.63 -63.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -40.21 -34.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -84.6 -38.58 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' HIS . 97.0 t -64.87 -53.96 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.853 0.359 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -44.19 -44.43 7.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -47.89 -49.0 31.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.1 mtp -67.11 -61.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.4 mtm -45.95 -34.73 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.0 -33.76 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.96 -62.92 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 88.3 m-85 -75.92 -8.54 57.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 61.45 47.02 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -175.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -131.75 116.21 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -104.91 129.95 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -117.94 126.53 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 99.4 t -107.24 139.01 20.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.746 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.4 Cg_endo -69.74 132.6 23.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -55.63 168.44 0.62 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.058 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 52.4 Cg_endo -69.89 -27.57 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.264 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -69.71 -36.1 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 93.0 mt -67.67 -23.34 65.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 49.07 50.73 17.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -114.4 153.81 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -118.8 22.83 11.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -115.56 117.21 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 63' ' ' ALA . 53.7 mt -94.71 135.83 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -101.45 121.93 42.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.3 mt -113.3 123.34 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.2 m -99.93 142.13 31.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.47 172.37 24.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.52 141.4 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.883 0.373 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -37.56 -41.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.06 25.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -60.37 -52.79 63.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.5 mt -42.05 -43.87 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.92 -55.5 34.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 5.5 mtm180 -58.25 -55.47 34.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.85 -62.28 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -44.26 -42.37 6.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.29 75.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.23 -52.38 52.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.41 -56.76 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 mt -43.27 -53.39 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -57.6 -41.41 81.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.97 -40.02 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.2 -41.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.38 -54.31 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 16' ' ' PRO . 5.7 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' N ' HG23 ' A' ' 15' ' ' VAL . 53.8 Cg_endo -69.82 -175.09 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.93 154.68 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -91.82 123.63 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -111.96 169.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.74 126.21 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 t -114.37 137.49 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.74 107.69 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -153.03 127.5 4.6 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.687 0.756 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.79 137.34 35.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.406 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 22.8 t80 -58.31 -18.77 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.69 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.6 -31.24 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.424 ' CD2' HD13 ' A' ' 62' ' ' ILE . 55.9 m170 -40.65 -57.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -44.29 -37.27 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.27 -34.21 25.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.98 -57.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG21 ' CE ' ' A' ' 43' ' ' MET . 19.1 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -43.16 -43.23 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -43.95 -49.89 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLU . 23.3 mtp -67.16 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' HG21 ' A' ' 39' ' ' ILE . 26.9 mtm -39.87 -30.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.97 -34.12 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -70.06 -49.11 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 93.6 m-85 -93.21 -8.04 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 62.12 45.59 6.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.24 -176.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -129.88 112.99 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 98.2 mt -95.1 134.06 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -121.61 129.75 53.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 89.3 t -109.5 138.0 20.46 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.186 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.3 Cg_endo -69.82 139.63 40.5 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.27 165.19 0.53 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.485 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 53.7 Cg_endo -69.75 -31.1 21.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.54 -34.35 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.83 -21.67 57.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 37.89 52.0 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 148.2 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.22 20.19 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.2 mm -122.28 107.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 63' ' ' ALA . 57.8 mt -84.58 139.34 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -101.26 122.67 44.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -116.77 129.7 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.4 m -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.64 178.56 35.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' ALA . 80.0 mt -70.89 136.1 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.96 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -73.95 -51.88 14.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -63.71 -44.05 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.44 -39.24 57.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.18 -51.55 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 4.2 mtt-85 -63.58 -55.44 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -52.86 -40.06 63.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.84 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.67 -48.79 78.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.412 HD12 ' CE ' ' A' ' 42' ' ' MET . 12.2 tp -60.54 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -50.21 -49.51 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.35 -35.52 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -67.27 -32.87 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.19 -35.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -72.4 -34.44 67.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -27.45 27.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 85.2 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 121.651 0.739 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.79 178.73 4.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.81 153.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 m -94.76 147.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 pt -130.35 -177.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -130.21 122.91 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.35 131.52 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.47 110.66 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.8 t -146.87 123.91 5.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 132.5 23.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.459 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 21.0 t80 -53.65 -31.42 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.34 -19.51 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' HIS . 27.9 mt -97.38 -34.8 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 42.6 m170 -34.77 -58.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -42.74 -43.8 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' LEU . 25.9 m-85 -76.91 -40.51 47.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.66 -62.61 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 63.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 83.7 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -47.79 -45.76 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -48.54 -52.68 21.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . 46.1 mtp -62.01 -63.19 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 77.9 mtm -41.43 -47.24 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.27 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -75.38 -62.99 1.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 53.8 m-85 -79.81 4.58 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 48.12 50.42 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.15 -179.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -125.27 122.57 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -105.57 130.61 56.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.11 118.34 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 48.6 t -101.34 137.63 19.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.86 134.63 28.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -55.74 166.25 1.08 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.0 Cg_endo -69.75 -27.33 26.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.16 -13.07 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.7 mt -91.72 -22.82 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -109.9 151.43 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.57 20.07 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mm -117.76 116.36 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 63' ' ' ALA . 56.4 mt -92.72 136.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.098 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -99.59 119.09 37.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.45 124.09 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 66' ' ' GLY . 87.7 m -101.64 138.42 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 65' ' ' THR . . . 160.33 168.61 22.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 mt -62.27 139.02 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.786 0.327 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.37 -39.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.83 -48.46 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 48.7 m-20 -65.67 -46.25 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 66' ' ' GLY . 53.2 mt -49.18 -37.52 22.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.11 -65.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -50.65 -43.62 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -66.53 -58.34 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.35 -35.07 50.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.81 87.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.24 -44.7 64.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' ARG . 13.8 tp -61.58 -60.44 3.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.58 -48.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -67.29 -39.44 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 6.0 tpt180 -60.29 -39.2 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.35 -54.63 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -54.63 -39.13 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.79 -46.24 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 91.2 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.83 -176.94 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.743 2.296 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 71' ' ' LEU . 3.7 m -146.18 155.57 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 m -92.57 134.22 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.407 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 23.4 pt -119.03 169.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -121.19 123.65 42.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -116.93 127.34 74.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.28 114.48 9.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t -157.02 125.83 3.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.45 35.38 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 27.2 t80 -57.58 -21.75 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.67 -21.47 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' A' ' 82' ' ' VAL . 74.0 mt -101.02 -28.84 12.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 41.2 m170 -39.75 -57.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.5 ptp180 -46.55 -36.24 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -82.89 -27.16 30.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.55 -54.71 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.05 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.338 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -59.36 -50.39 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -41.68 -37.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.4 mtp -81.42 -41.66 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.01 -29.93 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -84.55 -27.04 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.8 -55.07 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 52.2 m-85 -86.32 1.47 50.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 49.95 28.75 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.06 -177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -130.68 119.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.8 mt -100.73 132.68 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -122.24 127.9 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -104.3 138.92 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.672 0.749 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.71 135.95 31.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.99 153.44 3.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.637 0.732 . . . . 0.0 111.065 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.84 31.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.13 -6.71 57.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.4 mt -99.2 -21.34 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 56.33 33.64 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 7.2 t -83.42 136.72 34.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.4 19.78 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.86 120.41 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -90.63 141.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.83 123.27 47.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 59.1 mt -116.53 130.0 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.1 m -105.87 137.21 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.9 173.03 31.12 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 41.0 mt -66.71 140.3 57.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.26 -43.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.12 76.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -64.84 -49.81 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 17' ' ' VAL . 21.4 mt -48.26 -35.08 11.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -44.53 75.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 8.5 mtp180 -69.37 -54.16 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -56.8 -57.32 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -48.36 -47.13 37.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.85 -39.11 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.93 -55.69 10.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.29 -55.51 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -47.08 -60.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.32 -33.4 58.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.98 -37.78 88.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 27' ' ' LEU . 20.3 t -69.28 -41.06 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.96 -44.11 93.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.15 -34.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.638 0.732 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.8 -178.93 2.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 m -142.08 150.08 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 m -90.64 134.17 34.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 pt -119.55 -175.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -132.02 133.62 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.87 138.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.64 112.2 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.6 131.35 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.34 23.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 55' ' ' PRO . 41.6 t80 -57.79 -13.39 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.5 -12.22 60.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.6 mt -103.58 -25.45 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -41.6 -60.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -47.0 -31.69 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -86.21 -25.07 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.7 t -78.13 -52.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.29 42.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -48.36 -43.18 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 41.6 mtp -71.89 -44.07 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.7 mtm -58.87 -24.04 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -34.1 12.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.5 -57.8 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 73' ' ' ARG . 94.0 m-85 -78.1 -2.32 36.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 52.0 52.64 14.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 30.2 m -139.37 176.01 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.99 126.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 51' ' ' HIS . 84.2 mt -107.06 136.41 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' N ' HG21 ' A' ' 50' ' ' ILE . 11.6 m170 -121.75 122.35 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.94 130.32 23.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.541 0.686 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.64 68.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.57 165.75 22.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.519 0.676 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 53.3 Cg_endo -69.72 -30.21 22.82 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.74 2.293 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.99 -20.4 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.58 -14.92 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 38.88 44.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -92.13 143.27 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.97 16.56 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -120.1 107.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -83.05 148.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.32 124.68 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.5 mt -115.85 128.93 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 66' ' ' GLY . 61.7 m -106.46 139.58 40.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 65' ' ' THR . . . 158.28 176.98 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.8 mt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.65 -38.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.53 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -73.86 -41.12 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt -55.74 -32.45 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.79 -61.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 13.1 ptt180 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -50.05 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -61.23 -42.71 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.62 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.65 -50.48 11.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.71 -52.49 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.0 mt -46.0 -54.87 7.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.91 -33.86 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -69.72 -33.95 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.81 -54.2 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -54.53 -45.58 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.86 -51.72 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.618 0.723 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 177.79 5.26 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.49 165.3 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -105.47 138.9 40.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 21.7 pt -118.56 -178.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -132.83 128.76 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.45 135.34 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -81.61 101.2 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 82' ' ' VAL . 93.9 t -140.97 133.1 14.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.94 41.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 6.7 t80 -59.81 -28.3 67.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.95 -30.01 70.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.35 -24.55 25.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.1 m170 -48.41 -49.74 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 8.7 ptp180 -56.3 -25.55 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 12.5 m-85 -91.41 -31.17 16.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.94 -52.02 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mt . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.853 0.359 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.35 -51.35 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.0 mtm -64.26 -59.29 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.6 mtm -40.82 -29.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.85 -32.09 17.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.617 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -72.69 -48.76 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 76.3 m-85 -89.28 -15.08 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 65.82 42.26 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 16.1 m -122.72 -175.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -125.64 123.03 38.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -112.43 130.71 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -123.64 129.05 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 87.0 t -107.26 138.78 19.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.74 133.28 25.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -60.04 168.45 2.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 52.8 Cg_endo -69.79 -26.92 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.99 -15.34 62.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 mt -94.78 -26.99 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 50.32 53.91 12.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -111.46 140.44 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.36 19.18 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.56 115.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 63' ' ' ALA . 58.9 mt -92.51 137.08 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -101.6 131.02 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 52.4 mt -123.69 125.18 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -99.74 140.91 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.437 ' N ' HD22 ' A' ' 71' ' ' LEU . . . 156.11 171.08 22.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.19 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.71 -35.46 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.81 -47.96 64.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.463 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 27.6 m-20 -67.3 -41.25 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 66' ' ' GLY . 14.0 mt -54.18 -36.59 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.18 -61.52 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.5 -46.76 73.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.31 3.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -48.15 -33.81 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.65 91.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.52 -37.35 78.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.06 -52.47 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.9 mt -50.11 -48.56 53.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -75.11 -36.24 61.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.447 HG22 ' CG2' ' A' ' 23' ' ' VAL . 53.1 t -72.72 -34.23 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -77.03 -34.97 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -80.62 -41.31 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -140.78 131.42 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -165.81 164.24 18.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.18 153.19 11.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -169.7 124.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -165.7 138.85 4.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.09 66.69 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -87.22 144.8 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -158.48 130.18 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.03 96.73 4.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.09 129.48 13.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -131.08 119.62 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 172.88 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.77 -46.59 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 85.7 t -78.3 138.73 59.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.674 0.749 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.348 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 71' ' ' LEU . 3.0 m -147.06 150.37 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -94.41 137.6 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.0 pt -120.81 -176.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -130.62 129.0 42.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.1 t -122.28 132.73 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.14 117.49 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -154.39 134.33 7.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 130.08 18.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.5 -18.9 21.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.85 -16.41 63.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 92.0 mt -100.03 -30.9 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.0 m170 -38.93 -64.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -39.85 -35.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -81.32 -34.57 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' HIS . 61.3 t -69.49 -50.74 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.22 -57.31 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.54 175.22 23.21 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 35' ' ' LYS . 17.6 pt20 -41.97 -46.23 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 34' ' ' GLN . 12.4 tptt -124.92 -46.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.1 39.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 40' ' ' ARG . 16.8 p -88.57 -55.97 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.11 -46.37 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.16 -35.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 37' ' ' SER . 5.1 tpt180 -50.88 -34.52 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.76 -35.65 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtp -75.42 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 58.8 mtm -45.06 -29.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -62.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -73.41 -6.2 44.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 54.55 53.67 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -136.4 -178.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -125.9 117.96 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.61 130.92 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -123.68 125.78 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 98.2 t -102.52 138.76 19.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.66 163.52 3.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -31.22 21.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.75 -10.75 59.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.98 -30.43 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 57.46 35.88 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -94.98 140.98 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.58 15.08 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 63' ' ' ALA . 55.3 mt -83.11 138.44 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -101.48 128.31 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mt -121.42 120.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 66' ' ' GLY . 29.2 m -99.38 140.18 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 65' ' ' THR . . . 155.51 175.31 26.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' ASN . 90.8 mt -65.31 135.46 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.87 -34.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.043 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -44.57 75.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -72.69 -37.52 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 17' ' ' VAL . 14.3 mt -58.71 -34.23 71.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -58.4 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 1.7 ptp180 -57.21 -43.92 83.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.89 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -50.35 -36.31 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.09 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.07 -44.44 60.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.52 -58.73 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.07 -49.52 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.9 -36.94 81.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 tpt85 -64.76 -35.46 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.44 -44.6 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -65.55 -35.76 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -78.87 -32.62 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.04 -54.82 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 90' ' ' GLU . 5.5 pt20 -58.4 -42.18 86.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.15 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -87.61 -68.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 4.5 pt20 -47.57 -29.08 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 86' ' ' GLN . 17.6 tp10 -87.09 -40.27 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -56.36 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -54.97 -28.56 52.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.7 -32.29 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.79 -58.18 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -66.61 75.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -91.79 73.55 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 97' ' ' PHE . 30.4 p90 -45.95 99.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 23.8 mtpt -164.34 173.03 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.9 p -60.79 160.68 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 108.9 161.16 19.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.85 11.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -136.46 127.79 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.8 m -69.14 163.42 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -69.8 78.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -114.43 125.34 53.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.31 80.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -82.61 127.97 33.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -112.73 167.52 10.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.88 107.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -157.23 146.69 20.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.665 0.269 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -150.13 147.56 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.43 100.44 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -171.7 -176.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 6.5 pt-20 -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.08 143.23 49.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.6 -39.47 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.1 p -87.69 137.24 32.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.8 177.8 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 159.97 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -101.31 134.84 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 pt -123.38 175.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -121.27 136.43 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -129.68 116.32 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -68.01 112.83 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 98.0 t -148.46 138.45 12.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 54.4 Cg_endo -69.67 126.63 13.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 9.4 t80 -53.37 -36.01 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.76 -20.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 74.7 mt -96.61 -34.44 11.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 29.8 m170 -37.53 -58.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -45.65 -39.35 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' LEU . 16.8 m-85 -77.73 -41.52 37.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.16 -53.52 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.4 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.03 145.65 18.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -44.46 -49.82 9.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -87.09 -59.97 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.01 55.15 0.17 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' GLY . 2.3 m -96.68 -62.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -34.6 -66.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 mt -54.34 -47.05 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.162 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -50.28 -53.11 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -46.99 -46.16 21.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.0 mtp -66.43 -62.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 70.8 mtm -43.99 -47.74 8.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -36.59 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -67.68 -57.71 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -90.11 11.63 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' MET . 4.8 mm-40 41.97 36.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 34.6 m -106.75 -176.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -131.93 116.84 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.36 130.67 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -123.32 125.58 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 92.9 t -107.49 138.65 20.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.1 Cg_endo -69.72 132.49 23.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -54.99 166.58 0.77 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.8 Cg_endo -69.78 -19.04 36.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 0.0 112.335 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.04 -29.46 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.32 -24.27 59.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 50.85 52.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 144.19 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.76 11.77 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 mm -102.84 109.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -88.36 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.62 128.76 52.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.42 119.24 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -96.3 136.23 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.03 172.91 31.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 85.9 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.44 -41.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -53.48 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.463 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.3 m-20 -59.32 -46.19 89.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.1 mt -48.56 -43.03 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -55.85 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.76 -57.02 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -59.99 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -44.64 -44.68 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.86 84.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -69.0 -60.05 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -45.25 -46.39 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.43 -40.19 89.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -57.82 -38.41 75.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.442 ' CG2' HG11 ' A' ' 23' ' ' VAL . 95.4 t -69.09 -56.16 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -51.23 -34.42 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -41.29 20.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.06 -55.9 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 5.7 pt20 -53.4 -44.39 68.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -53.39 -22.84 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -90.27 -70.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -50.07 -18.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 93' ' ' ALA . 8.6 tt0 -89.56 -43.18 10.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -42.53 -52.6 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -57.7 -29.73 64.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -78.64 -44.78 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 tp -49.26 -55.44 12.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.86 139.28 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 m -129.2 114.43 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.19 179.28 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.21 -52.27 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 t -135.14 151.54 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.46 83.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -45.88 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -144.4 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 t -100.21 113.23 25.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -167.56 158.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -173.12 170.83 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.68 105.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -115.24 138.61 50.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -143.48 165.47 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.31 61.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -54.68 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -137.08 146.11 44.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.5 107.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -150.14 142.71 24.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -117.82 110.96 18.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.93 121.93 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.0 -39.97 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.8 p -96.04 137.47 21.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 111.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.6 Cg_endo -69.73 179.49 3.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG23 ' CD1' ' A' ' 71' ' ' LEU . 4.2 m -145.57 156.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 m -101.29 128.74 47.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -111.69 -175.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -139.08 130.3 26.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.61 149.48 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.11 108.12 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -147.49 132.58 9.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.81 135.04 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.15 -19.29 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.5 -11.75 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 91.8 mt -105.19 -30.19 9.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -40.88 -51.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -49.03 -37.75 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -82.3 -38.95 23.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.77 -56.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.76 -59.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.17 158.72 25.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -50.35 -49.58 53.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -93.94 -47.61 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.45 33.45 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' GLY . 90.0 p -86.26 -46.43 10.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -34.47 -69.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ARG . 62.1 mt -59.66 -49.44 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 43' ' ' MET . 1.4 tpm_? -35.3 -48.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -51.56 -50.38 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.2 mtm -62.81 -52.9 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' HE2' ' CZ ' ' A' ' 40' ' ' ARG . 24.8 mtm -51.18 -41.74 60.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.16 -46.43 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.58 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 46.7 m-85 -76.9 -0.75 25.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 50.01 47.25 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 18.3 m -125.81 179.01 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -126.39 115.58 19.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.3 mt -102.77 129.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -114.39 130.75 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 84.9 t -109.96 138.69 20.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.8 141.55 45.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.709 2.272 . . . . 0.0 112.316 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.97 161.63 53.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -18.52 36.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -22.91 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.9 mt -87.08 -21.6 25.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.3 50.7 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -106.19 138.3 42.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.27 19.78 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -119.89 117.22 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -92.76 139.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.55 127.46 53.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.1 mt -115.91 131.09 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -107.61 137.64 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' N ' HD23 ' A' ' 71' ' ' LEU . . . 160.31 176.19 32.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.7 mt -67.24 136.69 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.65 -36.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.02 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.466 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 7.9 m-20 -62.55 -44.56 96.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 66' ' ' GLY . 18.9 mt -50.61 -37.77 42.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.47 -43.86 96.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.509 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.6 mtp85 -70.6 -53.74 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -54.46 -57.41 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -48.28 -41.56 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.45 78.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.04 -37.52 82.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.81 -51.8 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.11 -26.75 66.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -72.88 -33.85 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 27' ' ' LEU . 90.7 t -72.76 -42.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -65.51 -37.48 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.33 -49.56 11.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -50.68 -48.96 58.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -66.52 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -13.4 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -89.59 -61.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.99 -17.84 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 91' ' ' ASP . 6.6 pt-20 -87.35 -39.84 14.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' GLU . 13.7 t70 -35.3 -57.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -63.54 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.63 -57.82 10.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 95' ' ' ARG . 5.7 mt -51.01 -47.98 61.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 94' ' ' LEU . 36.8 ttm180 -36.34 138.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' PHE . 37.1 p -66.04 85.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 m-85 -36.68 141.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.76 108.43 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -77.84 128.97 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.12 164.5 13.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.43 2.32 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.28 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p 38.64 41.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.5 p -145.46 111.45 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -141.88 108.91 5.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -152.3 128.44 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.0 127.57 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -89.19 154.07 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 p -138.02 175.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.02 178.11 27.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -80.14 -178.88 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -161.81 135.64 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.34 109.91 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -156.47 140.2 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -129.42 120.87 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.55 125.42 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.41 -40.33 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 10.3 p -87.28 137.36 32.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.73 179.26 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.26 152.76 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.5 m -97.81 139.62 33.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -121.93 -177.71 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -129.14 126.32 39.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -118.82 125.41 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.52 110.14 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.2 t -150.3 130.86 7.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.74 133.39 25.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 22.7 t80 -57.59 -18.69 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.72 -12.93 61.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 85.0 mt -104.46 -28.29 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 47.5 m170 -42.77 -61.76 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -44.08 -32.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.29 -32.4 26.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.9 t -74.95 -59.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -47.01 -55.63 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 170.66 17.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.65 131.78 49.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.358 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER 47.37 44.07 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 38.31 50.75 2.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -92.12 -31.26 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -33.14 85.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.5 mt -89.8 -38.27 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -46.43 -26.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -45.48 78.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 82.8 mtp -68.67 -55.78 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.5 mtm -47.56 -28.03 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.95 -42.69 12.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.49 -57.59 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 74.9 m-85 -83.04 3.9 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 47.22 42.82 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.81 -179.51 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.39 115.58 19.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -99.33 133.43 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -120.3 131.19 54.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -108.9 138.8 20.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.78 137.39 35.31 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 157.09 20.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 -11.86 31.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.47 -8.36 53.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -97.2 -26.61 14.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 58.59 37.11 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -90.97 138.73 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.39 21.3 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -123.7 116.95 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 63' ' ' ALA . 59.1 mt -90.01 137.19 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -99.35 126.6 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.0 mt -119.47 128.22 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 66' ' ' GLY . 34.8 m -104.77 142.54 34.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' HG21 ' A' ' 65' ' ' THR . . . 158.4 169.48 21.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ASN . 59.8 mt -62.87 138.35 58.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.63 -36.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.94 57.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.8 m-20 -65.44 -45.11 85.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.9 mt -50.25 -35.77 28.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.96 -51.61 60.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 9.6 mtt180 -60.66 -57.64 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -61.36 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -46.37 -42.77 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.89 -44.67 29.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.58 -52.52 60.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -45.71 -49.97 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.69 -40.8 96.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.19 -36.17 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 27' ' ' LEU . 68.9 t -70.17 -50.06 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -56.08 -33.91 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.49 -51.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.45 -37.03 46.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -80.69 -22.98 39.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.59 -21.51 30.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 15.7 pt-20 -90.74 -40.59 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 1.1 pp0? -71.87 -16.15 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -90.92 -36.42 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -58.76 -44.84 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 8.5 ptm180 -79.09 -40.39 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.43 96.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ARG . 4.5 tp -37.86 -38.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' LEU . 31.1 mtp180 -35.01 -58.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.5 p -96.73 111.91 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -117.2 134.44 54.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -118.92 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.6 m -40.42 -49.79 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.69 146.29 18.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 156.19 64.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.415 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.8 t -103.49 -54.94 2.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -88.61 137.39 32.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -155.73 120.05 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -93.63 154.91 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.68 142.57 12.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -156.16 128.89 7.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -44.14 -56.67 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.49 150.28 10.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -83.76 119.12 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.729 0.299 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -151.17 137.89 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.36 119.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 12' ' ' GLU . 16.4 tp -169.92 159.15 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 9.6 pt-20 -155.18 136.17 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.47 123.56 9.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -88.04 -62.29 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.6 p -67.95 136.8 92.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.87 179.66 3.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 71' ' ' LEU . 3.3 m -146.0 152.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -94.54 139.37 31.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.13 178.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.48 132.61 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.99 142.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -86.61 107.05 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -146.55 129.89 8.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.58 33.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.4 t80 -60.4 -12.88 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.69 -11.32 60.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -109.29 -23.98 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 27.9 m170 -41.84 -59.45 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -46.43 -30.55 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -86.35 -31.4 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -71.5 -50.84 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.79 -65.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.58 18.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.51 -47.6 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -123.92 41.56 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.22 34.09 39.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -91.56 -35.6 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.788 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.24 -48.24 53.95 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.92 -48.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' CE ' ' A' ' 43' ' ' MET . 60.1 mtt180 -41.53 -42.01 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.6 -53.18 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 mtm -65.63 -47.36 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 40' ' ' ARG . 60.8 mtm -53.06 -25.2 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.14 -28.71 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -78.73 -55.72 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.05 -7.68 59.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 62.1 27.57 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -107.38 -175.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -132.77 112.91 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.8 mt -97.55 130.11 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -120.03 129.52 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 98.8 t -110.38 138.85 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.74 135.11 29.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.63 1.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.77 -23.33 30.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.29 -21.17 50.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.9 mt -80.27 -25.82 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 51.26 48.6 22.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -108.44 146.2 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.24 20.63 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mm -120.38 116.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 63' ' ' ALA . 74.2 mt -91.06 141.42 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -107.2 127.65 53.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mt -119.22 129.59 75.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.0 m -104.57 138.32 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 174.51 30.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.6 mt -69.05 138.22 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.727 0.299 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.21 -42.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.21 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.2 m-20 -69.33 -48.4 61.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 17' ' ' VAL . 14.0 mt -47.8 -42.25 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -50.27 74.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -65.54 -55.59 16.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.8 -59.19 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -45.18 -44.66 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.07 -36.14 70.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.43 -49.01 67.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.7 -52.21 65.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.29 -53.66 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.58 -35.15 80.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.79 -31.73 73.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.61 -47.58 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -61.25 -30.5 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -86.05 -44.69 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.35 -51.34 67.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.58 -35.68 72.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -90.39 -58.44 2.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -50.07 -27.37 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -88.62 -39.9 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -42.54 -52.13 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -50.09 -34.36 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.35 -39.02 21.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.5 -54.74 37.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 62.59 39.66 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.788 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 t -119.45 98.82 6.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -52.79 120.05 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -141.96 158.14 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.9 t -109.72 136.16 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.57 84.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 114.84 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -66.13 177.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -108.84 174.71 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -126.72 112.24 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -91.14 103.7 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.59 87.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -132.61 105.11 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -84.5 152.18 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -59.66 161.79 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.92 152.12 6.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.49 114.21 3.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -146.29 139.41 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -129.87 119.44 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.8 137.76 20.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -40.11 11.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 4.7 p -85.07 138.7 36.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -145.96 162.73 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 m -102.09 139.88 37.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.59 -178.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -128.54 130.05 46.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -125.42 124.21 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -68.26 113.67 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -151.24 129.77 6.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.736 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.14 -24.5 54.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.18 -9.38 22.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -104.87 -31.75 9.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.473 ' CE1' HG11 ' A' ' 52' ' ' VAL . 39.7 m170 -39.63 -63.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -39.42 -38.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.93 -42.84 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -59.09 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.431 ' CG1' HD11 ' A' ' 39' ' ' ILE . 14.2 mt -64.89 -49.61 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 82.71 162.72 32.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 47.7 tt0 -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.901 0.381 . . . . 0.0 110.96 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.31 177.21 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.16 38.3 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -94.25 -52.79 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.15 -64.74 1.23 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 HD11 ' CG1' ' A' ' 32' ' ' ILE . 77.6 mt -59.17 -39.8 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 10.4 tpt180 -37.88 -57.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ARG . 28.8 tttt -35.39 -48.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 84.3 mtp -68.06 -55.28 13.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.1 mtm -48.21 -33.63 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -82.67 -48.69 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.47 -59.57 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 68.5 m-85 -81.48 9.34 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 41.26 46.5 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.45 -179.99 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -129.79 114.72 16.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.5 mt -94.2 131.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.0 126.26 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.473 HG11 ' CE1' ' A' ' 28' ' ' HIS . 89.8 t -107.82 138.82 20.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.8 142.06 46.76 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.93 160.02 41.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 111.1 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.15 34.32 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -82.21 -14.45 55.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -96.62 -19.62 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.48 49.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -104.22 148.33 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.65 22.02 13.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mm -119.81 116.65 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 63' ' ' ALA . 70.6 mt -91.94 141.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -107.26 123.79 48.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.37 130.77 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 m -102.59 143.88 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.38 170.72 20.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.428 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.4 mt -66.41 141.72 57.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.31 -40.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -53.45 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -61.12 -46.94 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.7 mt -48.16 -41.71 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.0 -53.62 51.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -58.41 -57.18 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -55.7 -53.11 60.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.28 -49.03 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.43 -20.26 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.04 -43.66 7.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.06 -50.03 63.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.79 -44.89 14.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.77 -37.89 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -62.6 -37.16 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.4 t -71.47 -50.97 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 53.6 mtpt -55.04 -38.89 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -49.02 20.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.1 mt -53.96 -52.13 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 10.3 pt20 -55.7 -18.4 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.3 -42.22 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 9.0 pt-20 -73.51 -47.36 41.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 5.7 pt20 -65.46 -20.15 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 8.6 mm-40 -93.91 -46.48 7.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' GLU . 17.4 t70 -34.55 -62.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -40.57 10.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -72.89 -34.6 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 tp -47.39 -47.27 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 41.03 49.66 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.7 p -168.32 124.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -45.9 155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 99' ' ' SER . 0.1 OUTLIER -157.22 142.95 17.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 14.5 m -82.72 54.54 2.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.45 -79.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.95 13.03 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -140.89 124.13 16.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.4 m -94.31 142.53 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.508 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -173.1 125.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -69.17 130.55 42.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.05 130.91 5.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -93.14 147.97 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -95.82 167.08 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.29 92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.01 167.83 5.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -137.39 172.77 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.56 108.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -150.48 142.72 24.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.39 116.22 18.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.08 141.68 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.1 mt -74.22 -44.71 52.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 14.5 p -79.49 136.95 55.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.754 . . . . 0.0 111.051 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.82 179.38 3.77 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.97 155.73 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 m -95.89 146.07 24.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 pt -129.64 -175.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.64 130.94 38.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.0 121.6 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.7 112.87 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -150.71 129.97 6.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.77 134.47 28.06 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.726 2.284 . . . . 0.0 112.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.5 t80 -57.05 -24.75 56.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.92 -13.51 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 24' ' ' PRO . 70.2 mt -102.39 -32.1 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' HG12 ' A' ' 52' ' ' VAL . 51.9 m170 -40.08 -60.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -42.28 -36.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -81.92 -38.73 24.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.56 -60.14 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 41.8 mt -59.36 -46.21 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.48 -144.39 25.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLY . 13.5 mp0 -49.98 179.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' GLY . 29.4 mttp -46.69 89.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' GLN . . . 34.64 43.51 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 p -98.92 -39.91 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.45 -38.6 86.99 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 94.0 mt -77.67 -38.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ILE . 9.7 tpt180 -38.18 -45.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -38.72 -54.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.9 mtp -64.29 -60.88 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.9 mtm -43.83 -29.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -88.65 -37.26 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.03 -60.62 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -79.83 11.35 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 36.83 53.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.02 177.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -123.72 118.23 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.35 137.43 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -131.01 123.3 28.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.558 HG12 ' CE1' ' A' ' 28' ' ' HIS . 55.5 t -105.86 137.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.66 135.69 31.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.05 161.52 2.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.705 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -18.34 37.38 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.45 -21.61 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -85.53 -26.63 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 58.02 38.81 26.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 138.38 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.17 22.93 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.2 mm -120.28 122.73 69.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 63' ' ' ALA . 65.9 mt -98.78 138.82 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -100.86 127.4 47.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.7 mt -120.13 129.03 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -106.46 141.14 38.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.16 176.5 31.28 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ASN . 71.9 mt -67.61 136.15 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.88 -43.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.3 94.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 67' ' ' LEU . 28.3 m-20 -68.47 -49.37 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.94 -38.34 7.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -56.69 12.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -58.01 -55.68 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -61.88 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -44.47 -39.23 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.38 94.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.52 -38.72 93.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.06 -52.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -43.01 34.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.94 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -64.15 -36.7 84.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.9 t -74.21 -40.83 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.84 -26.75 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -93.2 -32.5 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 mt -70.0 -54.68 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.75 -29.55 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.61 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.78 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -47.3 -31.78 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 93' ' ' ALA . 4.0 tt0 -85.17 -44.42 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -36.45 -51.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.57 -43.41 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -60.22 -47.66 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.18 -31.24 65.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 58.39 34.17 23.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -60.97 133.46 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -94.8 142.92 26.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -149.6 138.09 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.8 p -53.3 96.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.59 167.54 28.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -11.81 31.56 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -68.2 128.59 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.0 m -127.42 149.38 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 40.1 42.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -122.25 155.29 36.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 131.65 4.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -98.61 137.11 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -149.04 -179.8 7.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.95 89.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 125.23 13.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 150.36 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.45 95.19 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -147.78 127.84 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -136.82 115.87 12.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.38 142.34 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.46 -39.58 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.1 p -96.97 137.38 21.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.84 178.59 4.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.82 160.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -96.35 136.81 36.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 12.6 pt -117.96 -175.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.49 125.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.53 133.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.49 115.59 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG21 ' CG2' ' A' ' 82' ' ' VAL . 50.7 t -154.36 129.48 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 136.05 31.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 20.0 t80 -58.16 -20.89 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -66.65 -11.89 55.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -105.44 -29.7 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 m170 -42.63 -60.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -43.93 -31.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.58 -37.01 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG11 ' CG1' ' A' ' 39' ' ' ILE . 79.5 t -67.66 -62.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.53 -59.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.65 178.65 46.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.62 151.95 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 42.54 31.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.5 2.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -97.8 -51.3 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -40.14 -62.81 1.44 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 ' CG1' HG11 ' A' ' 31' ' ' VAL . 92.5 mt -60.87 -40.76 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.78 -51.41 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 42' ' ' MET . 7.0 tmtt? -43.19 -44.06 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.467 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 62.6 mtp -71.59 -56.24 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 mtm -45.8 -30.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.97 -41.5 14.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.75 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -75.69 -5.19 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 54.32 49.73 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.5 m -132.88 176.89 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -122.47 113.13 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.3 mt -95.17 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -125.42 127.28 46.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 96.6 t -110.2 138.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.74 138.21 37.34 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 164.43 6.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.625 0.726 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.15 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.21 -10.8 60.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.74 -24.78 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 51.68 49.78 20.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -105.01 148.47 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -115.15 19.34 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -119.03 119.9 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 63' ' ' ALA . 69.3 mt -95.81 143.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -108.78 129.71 55.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.415 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 34.0 mt -120.33 121.16 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 66' ' ' GLY . 72.3 m -96.15 139.81 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' N ' HG21 ' A' ' 65' ' ' THR . . . 156.12 173.99 25.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' ASN . 96.9 mt -66.42 138.06 57.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.16 -34.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -71.15 -47.65 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 m-20 -66.15 -37.89 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.72 -35.3 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.67 -56.49 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -57.48 -42.57 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.97 -57.47 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -50.16 -35.72 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.88 64.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ARG . 15.2 tp -63.17 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 79.3 mt -39.06 -47.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.55 -38.63 77.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 3.6 tpt180 -59.86 -33.58 71.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' CG2' HG21 ' A' ' 23' ' ' VAL . 49.6 t -72.94 -45.77 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -59.53 -34.07 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -84.52 -43.03 14.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.36 -54.7 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -53.68 -30.95 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.64 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -88.8 -61.81 1.62 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -53.75 -26.27 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -82.89 -41.55 18.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -40.22 -43.98 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -58.26 -61.68 2.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.13 -50.8 47.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.4 tp -39.03 -54.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -78.95 108.71 12.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t -50.81 137.46 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -153.62 142.75 21.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -136.21 134.92 38.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -138.62 175.18 9.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.782 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.77 62.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.543 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 154.26 68.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.2 p -127.47 145.05 50.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.5 t -81.51 90.24 6.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -161.01 111.14 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.824 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -137.26 137.65 39.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.05 144.67 5.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -109.82 173.06 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -89.79 -52.12 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.59 -151.85 19.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -154.07 136.36 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -170.63 136.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.45 115.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -144.71 131.96 20.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.35 119.27 28.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.54 124.47 15.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.57 -39.81 92.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.3 p -74.71 137.57 73.75 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.82 177.33 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 71' ' ' LEU . 5.3 m -147.58 149.64 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -93.71 134.54 35.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.7 -179.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -131.43 129.11 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -119.78 136.49 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.12 106.26 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -143.95 127.6 9.02 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 132.9 24.17 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.434 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 18.4 t80 -55.27 -29.22 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.41 -18.16 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.18 -30.84 11.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 26.0 m170 -40.91 -58.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -38.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -81.85 -40.83 21.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.86 -56.58 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -56.87 -53.57 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.31 -167.79 27.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -70.39 135.07 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.389 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mttp 38.4 50.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 40' ' ' ARG . . . 37.68 45.6 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.6 m -72.07 -62.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.04 -43.12 8.51 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.434 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.7 -48.68 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.201 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 39.0 mtp180 -43.45 -36.65 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -55.25 -42.92 74.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' GLU . 43.5 mtp -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.3 mtm -45.06 -30.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.24 -29.63 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' MET . 5.1 tp10 -81.69 -62.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 86.4 m-85 -76.95 -0.45 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 52.84 48.84 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.3 177.42 6.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -123.24 125.64 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.6 mt -112.11 130.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -120.2 123.83 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 86.4 t -104.01 138.64 19.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.3 Cg_endo -69.7 132.46 23.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.46 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.739 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 54.4 Cg_endo -69.74 -30.87 21.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -66.58 -22.98 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.94 -21.37 26.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 47.05 51.16 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -104.62 150.24 24.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.51 20.04 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -118.7 117.73 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 63' ' ' ALA . 43.7 mt -92.92 138.45 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -104.1 128.69 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.08 122.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 66' ' ' GLY . 24.5 m -99.15 143.09 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' HG21 ' A' ' 65' ' ' THR . . . 155.81 177.13 28.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 66.2 mt -68.56 136.31 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.8 -41.32 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.75 80.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.5 m-20 -66.66 -45.42 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 17' ' ' VAL . 16.4 mt -50.82 -40.61 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -50.33 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.1 mtm180 -64.66 -55.51 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.1 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -45.21 -41.13 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.57 -47.16 58.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.406 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.06 -56.03 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 mt -48.99 -45.12 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.81 -35.77 82.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -65.3 -40.4 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.18 -45.51 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -64.55 -30.43 71.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -85.33 -37.82 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.21 -52.36 19.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -57.25 -37.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -82.68 -55.94 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.67 -17.09 63.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.53 -37.53 21.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.0 -41.1 64.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -26.67 63.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.35 -49.37 27.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.32 -51.72 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -68.08 128.61 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -123.26 172.86 8.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -39.0 136.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -134.01 141.51 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.0 t 61.23 44.56 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.85 -92.37 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.443 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.2 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.6 p -42.18 114.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 97.5 p -60.65 -46.17 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -132.28 126.74 34.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -53.15 159.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.65 93.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -118.5 108.05 14.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -84.51 173.49 10.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.09 55.2 0.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -108.6 142.0 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.276 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -156.63 130.04 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.01 120.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tp -168.38 152.51 5.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -144.38 131.5 20.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.54 133.45 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -104.47 -36.51 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.9 p -95.14 136.68 22.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.73 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.383 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.02 153.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 m -97.34 135.73 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 34.0 pt -117.83 176.75 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.175 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -126.08 125.37 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.16 124.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.0 106.61 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -145.43 133.47 10.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.675 0.75 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.41 35.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 29.8 t80 -60.87 -16.82 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.48 -16.41 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.7 mt -101.27 -26.88 13.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -44.02 -55.23 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -48.31 -33.47 8.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -80.88 -39.88 25.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.92 -55.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt -48.99 -42.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 97.46 156.7 30.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 20.3 pt20 -36.74 -40.54 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -126.03 -53.5 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.57 -26.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.9 m -44.96 -25.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -65.79 3.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.45 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.75 -41.18 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -41.82 -49.49 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -39.28 -56.71 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mtp -58.35 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -44.48 -27.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.53 -28.31 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -85.85 -60.72 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.08 -11.73 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.28 53.6 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.424 ' CG1' ' CB ' ' A' ' 70' ' ' ASN . 1.3 m -134.66 178.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -120.13 119.85 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -108.41 135.68 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -126.08 121.32 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.06 133.58 20.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 134.84 28.7 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -62.05 168.23 4.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.71 -23.19 31.3 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.403 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 -15.9 61.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 49.56 45.59 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 140.62 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.33 23.44 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -124.71 118.53 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 63' ' ' ALA . 58.4 mt -92.12 137.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -100.55 125.09 46.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 19.7 mt -119.58 118.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 66' ' ' GLY . 57.5 m -98.84 139.62 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 65' ' ' THR . . . 158.19 179.07 32.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ALA . 55.5 mt -68.17 135.92 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.26 -26.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -78.85 -44.78 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -70.81 -29.18 65.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.08 -34.7 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.86 -58.66 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -58.74 -43.9 90.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -53.23 -35.28 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.35 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.42 -40.59 23.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ARG . 12.3 tp -63.86 -58.75 5.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.1 mt -42.15 -49.19 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -69.86 -26.09 64.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tpt180 -75.26 -32.88 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.69 -39.93 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -69.93 -32.09 70.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -82.28 -55.67 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 mt -47.7 -51.75 20.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 3.0 pt20 -58.45 -31.86 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.69 -15.0 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -74.43 -68.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 86' ' ' GLN . 19.3 pm0 -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 7.9 mm-40 -82.72 -25.99 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -57.12 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -61.76 -44.69 96.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.64 -28.97 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -81.72 -67.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 70.77 39.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.7 t -125.73 125.94 43.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 97' ' ' PHE . 3.0 p90 -34.99 121.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -130.14 99.05 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 p -67.65 132.6 47.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.58 -90.92 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 0.88 5.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 m 51.05 38.31 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.3 m -123.32 158.52 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -90.69 109.99 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -52.44 177.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.82 53.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -132.28 148.69 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 p -91.96 -38.32 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.19 117.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -142.19 162.15 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.684 0.278 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -161.88 157.44 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.92 95.06 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 tt -168.67 124.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -129.44 116.89 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.0 118.49 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.29 -27.06 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.97 134.25 22.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 -178.76 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.56 153.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 m -95.24 132.59 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.99 -179.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.39 126.56 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -119.27 139.18 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -83.67 105.23 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -142.14 130.93 11.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.742 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.47 25.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.464 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 28.7 t80 -58.35 -17.52 20.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.39 -18.9 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' TYR . 95.9 mt -101.45 -28.25 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 48.5 m170 -37.74 -58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -47.85 -36.98 12.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LEU . 24.4 m-85 -82.63 -28.7 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.32 -51.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.195 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.94 -54.13 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.85 -173.33 25.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -73.22 -42.5 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLY . 53.4 mttt -124.7 49.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 35.84 46.98 0.93 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.9 m -97.59 -43.33 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.894 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.99 -49.01 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.8 mt -71.36 -51.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -40.49 -41.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -53.91 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -45.04 79.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.1 mtm -55.28 -30.6 60.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -23.85 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -88.23 -61.65 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 42.2 m-85 -75.06 -3.35 32.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 50.07 50.41 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.85 -175.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.15 122.54 35.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 51' ' ' HIS . 73.9 mt -110.04 134.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' N ' HG23 ' A' ' 50' ' ' ILE . 3.2 m-70 -123.21 142.55 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 87.8 t -122.68 138.66 29.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 134.92 29.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -59.47 168.26 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.75 -27.02 27.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.61 -34.78 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.8 -27.95 60.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 52.2 54.37 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -110.63 150.33 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.91 25.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.18 117.78 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.5 mt -94.94 138.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.1 131.57 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.76 123.22 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -99.03 133.12 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.91 169.48 28.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ALA . 79.7 mt -63.15 140.49 58.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -37.55 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.18 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.99 -51.02 69.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -45.35 -39.55 6.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -50.84 72.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.6 mtt180 -64.49 -50.67 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -46.17 -38.7 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.85 90.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.88 -55.86 10.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.13 -54.38 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.5 mt -45.95 -61.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -49.91 -47.35 52.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 5.2 tpt85 -47.6 -42.51 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -73.65 -34.5 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -70.16 -33.01 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -85.54 -52.12 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 34.6 mt -54.62 -49.55 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.07 -35.46 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.7 -29.84 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.95 -62.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -49.97 -34.12 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' ALA . 93.5 mt-10 -79.01 -42.55 26.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' GLU . 32.3 t0 -34.53 -64.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 -46.72 -39.93 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -70.45 -38.41 74.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.25 -25.02 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 46.63 42.64 11.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 t -161.37 166.98 26.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -119.75 121.18 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -84.92 -44.42 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.8 t -173.75 139.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.43 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.48 10.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -96.26 148.58 22.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 p -122.67 131.59 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -154.53 105.94 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -47.34 95.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.89 -136.84 12.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -166.36 139.17 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -104.64 134.61 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.14 137.25 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 161.37 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.704 0.288 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -155.16 167.54 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.66 108.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -164.3 140.04 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -124.04 116.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.65 124.46 25.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.55 -41.14 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.3 p -97.91 137.17 20.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.7 -175.72 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -143.29 158.21 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 m -98.04 131.39 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.9 pt -114.79 -177.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.65 131.31 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' CG2' HD12 ' A' ' 64' ' ' ILE . 4.1 t -124.95 127.18 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.95 110.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.0 t -146.02 130.82 8.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.06 22.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -56.18 -21.29 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.68 -11.49 54.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.5 mt -106.08 -27.96 10.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.556 ' CE1' HG12 ' A' ' 52' ' ' VAL . 27.5 m170 -43.31 -60.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 16.8 ptt180 -47.33 -27.31 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 11.3 m-85 -90.54 -31.63 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' CG1' ' A' ' 39' ' ' ILE . 77.2 t -73.82 -53.18 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.99 -61.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.75 150.63 12.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.72 -33.22 46.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.353 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -107.33 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.06 36.77 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.7 p -98.83 -46.77 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.21 -72.82 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' CG1' HG12 ' A' ' 31' ' ' VAL . 73.7 mt -56.43 -45.96 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -52.91 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -44.89 -48.52 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.3 mtm -68.9 -36.55 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.0 mtm -65.88 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.14 -38.6 17.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.09 -49.0 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.43 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 39.4 m-85 -89.85 8.92 29.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 45.8 31.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 46' ' ' PHE . 9.7 m -116.08 177.22 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -131.18 113.37 13.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.9 mt -81.08 148.73 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' ALA . 2.4 t-160 -131.06 110.89 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 28' ' ' HIS . 42.0 t -103.57 134.68 19.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.641 0.734 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 142.59 48.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.4 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 163.43 21.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -22.07 32.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -78.32 -14.94 59.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -88.06 -27.42 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.54 47.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -113.13 148.59 35.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -116.42 25.28 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -117.83 116.76 52.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -94.68 142.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 51' ' ' HIS . . . -108.87 127.05 53.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD12 ' CG2' ' A' ' 21' ' ' VAL . 27.3 mt -113.57 134.86 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -109.64 134.55 51.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.19 169.07 23.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASN . 82.3 mt -62.26 140.62 58.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.48 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -77.67 -44.76 27.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 m-20 -69.79 -29.0 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.9 -30.03 69.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.35 -61.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -59.2 -29.75 67.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -78.7 -53.08 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -57.86 -30.96 66.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.11 96.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.036 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.36 -51.37 56.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.58 -58.58 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.3 mt -47.28 -54.28 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.78 -27.42 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.88 -40.66 75.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.25 -45.32 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -77.83 -51.67 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -53.0 -55.04 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -53.59 -35.77 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 91' ' ' ASP . . . -62.9 -22.75 66.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.21 -71.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -44.0 -27.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ALA . 7.9 tt0 -91.53 -44.61 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -43.24 -43.98 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -30.43 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -77.34 -46.61 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.5 tp -63.19 -60.14 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 39.1 37.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.3 p -73.03 86.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.6 p90 38.32 39.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -69.29 113.77 6.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.5 t -107.35 40.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 52.49 68.55 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.03 34.18 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.252 . . . . 0.0 112.376 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.2 p -158.15 164.38 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 m -104.6 147.36 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.411 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -150.93 114.45 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 p -96.21 178.69 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.33 113.54 0.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -157.57 139.8 14.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -133.03 147.17 52.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.52 49.45 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -64.04 149.2 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.91 145.24 49.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.98 93.29 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -139.54 131.59 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.99 118.87 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.66 136.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.94 -38.86 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.11 135.89 22.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.92 2.1 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.1 157.06 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.4 m -98.32 132.02 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 pt -116.55 -175.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -133.62 131.34 39.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.61 137.82 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.83 115.31 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -154.4 125.12 3.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.547 0.689 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 135.48 30.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 55' ' ' PRO . 26.0 t80 -57.54 -20.49 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -19.46 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' CD1' HG11 ' A' ' 82' ' ' VAL . 46.1 mt -98.11 -29.92 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 22.1 m170 -41.65 -54.13 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -43.82 -35.91 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.04 -40.08 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -56.81 -47.73 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -71.4 -30.6 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.68 -176.03 54.74 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.448 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -42.55 -58.56 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.53 -64.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.7 29.82 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.56 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -89.12 -21.24 23.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.956 0.408 . . . . 0.0 110.865 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.34 -35.88 77.3 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -84.14 -48.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.146 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -42.87 -46.71 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -44.47 -53.38 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.48 -34.88 79.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 39.5 mtm -65.49 -36.82 85.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.79 -30.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -74.36 -49.92 20.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.478 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 55.5 m-85 -90.51 -7.41 53.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 58.99 45.81 14.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.46 -174.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.1 120.68 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.9 mt -102.81 132.33 49.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -122.22 107.61 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 91.7 t -91.22 138.82 25.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.55 0.69 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.759 2.306 . . . . 0.0 112.301 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -60.42 168.31 2.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.048 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.77 -22.3 32.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.89 -34.06 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.31 -20.1 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 44.56 47.3 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -99.0 149.58 22.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -114.25 18.54 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -123.92 122.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.23 142.61 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.81 123.51 48.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 mt -112.5 126.36 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.3 m -102.12 136.04 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.63 170.26 23.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 77.4 mt -61.41 137.35 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.75 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -75.68 -45.52 36.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.4 m-20 -69.5 -32.61 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.23 -34.28 77.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.92 -58.2 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' NH2' ' O ' ' A' ' 46' ' ' PHE . 31.1 ptt180 -60.95 -41.68 96.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -65.97 -58.93 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -50.03 -35.63 25.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.01 81.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.65 -46.53 61.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' ARG . 19.6 tp -60.54 -61.31 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.54 -51.07 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.54 -31.3 72.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.7 tpt180 -68.23 -37.23 80.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.424 HG11 ' CD1' ' A' ' 27' ' ' LEU . 89.1 t -71.6 -38.46 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -69.54 -39.37 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.16 -48.82 15.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.8 mt -53.77 -55.64 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -55.93 -26.31 47.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.91 -22.48 56.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -90.05 -41.5 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -75.47 -20.48 58.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -92.71 -24.84 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.56 -53.25 60.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.9 -28.15 34.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.26 -39.11 23.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.87 -28.04 62.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 55.58 52.25 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -97.88 149.65 22.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -75.42 79.98 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -135.91 135.51 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.0 m -94.06 177.48 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.79 145.49 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -174.38 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.7 p -173.43 153.36 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 p -114.62 17.1 17.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -105.08 -47.38 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -95.56 91.25 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.68 41.73 1.62 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -71.9 119.26 15.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -141.1 128.03 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.46 148.69 1.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 157.39 43.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -152.71 158.92 43.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.82 19.15 20.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tp -161.13 132.14 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.01 131.47 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.4 168.15 22.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -119.94 -40.41 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 60.3 t -96.85 137.88 21.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -171.35 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -146.42 150.73 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -90.72 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -121.52 178.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -126.77 124.08 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 t -116.29 140.48 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.04 106.96 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -147.05 126.33 6.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 136.52 33.01 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 16.5 t80 -55.23 -33.3 62.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.78 -21.66 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 82' ' ' VAL . 56.2 mt -94.92 -33.6 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 30.3 m170 -40.42 -46.79 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -50.97 -39.9 56.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' LEU . 35.9 m-85 -82.96 -40.26 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.98 -58.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.174 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt -58.06 -61.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.7 -168.23 46.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.55 128.4 35.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.981 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' GLY . 15.5 mmtm 38.74 52.61 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.4 67.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.2 p -90.64 -60.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' CG ' ' A' ' 41' ' ' LYS . . . -48.16 -35.37 13.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -76.19 -37.01 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.52 -59.13 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 6.8 pttm -39.11 -41.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.6 mtp -72.36 -50.42 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLU . 76.7 mtm -53.46 -45.86 69.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.66 76.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.7 -55.91 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 52.1 m-85 -89.65 -0.94 57.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' MET . 72.1 mt-10 57.56 34.87 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.37 177.74 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.26 115.13 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -100.21 129.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.2 130.89 56.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 84.1 t -108.23 138.61 20.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.72 136.54 33.36 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.32 163.48 0.3 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 52.6 Cg_endo -69.8 -29.22 24.03 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.35 -35.34 80.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.71 -18.24 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' PRO . 2.2 mm-40 38.42 47.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -95.74 159.59 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -119.82 19.8 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -119.12 111.22 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.3 mt -88.32 143.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.83 120.97 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.1 mt -114.25 128.35 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.1 m -104.69 139.23 39.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.14 170.36 24.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.412 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.4 mt -63.11 137.86 58.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.16 -41.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -52.48 52.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.69 -48.28 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -47.22 -39.69 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.63 -60.18 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 mtp85 -53.47 -55.9 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -46.53 -42.71 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.5 88.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.69 88.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.36 -55.85 26.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 mt -41.32 -51.58 3.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.27 -41.82 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.07 -37.71 80.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 27' ' ' LEU . 53.8 t -72.81 -39.75 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -68.53 -36.0 78.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.85 -40.97 23.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.1 -57.05 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 5.8 pt20 -51.07 -44.46 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -52.63 -32.11 40.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -86.59 -72.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 3.5 pt20 -39.15 -33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.2 -48.02 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -43.92 -44.07 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 93' ' ' ALA . 15.8 ptm180 -71.94 -39.26 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 92' ' ' ARG . . . -58.64 -46.62 86.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.76 -45.84 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 64.86 43.15 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -87.23 41.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -91.56 131.25 37.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' SER . 20.5 ttpp -125.76 149.53 48.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' LYS . 5.3 t -36.96 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.98 164.25 28.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -43.57 2.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.615 2.21 . . . . 0.0 112.418 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.1 p -136.76 144.16 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.9 p -110.92 90.88 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -113.28 42.03 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -158.02 118.81 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.94 52.21 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -154.39 142.99 20.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -130.51 151.84 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.06 127.27 4.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -125.2 -56.54 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -129.21 163.16 26.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.02 118.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.1 tp -153.14 139.43 18.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -147.32 133.55 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . -174.88 122.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' ALA . 4.0 mp -36.43 -44.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 84.1 t -80.11 138.62 52.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.77 177.81 5.21 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.619 2.213 . . . . 0.0 112.394 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.82 159.34 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -104.92 132.52 51.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.35 -179.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -124.31 124.56 42.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 t -115.58 136.07 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -82.91 97.56 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.11 125.7 19.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.592 0.711 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.01 26.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.7 t80 -54.42 -30.9 53.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.44 -18.53 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -98.62 -33.07 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 18.6 m170 -39.63 -63.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -40.21 -34.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -84.6 -38.58 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' HIS . 97.0 t -64.87 -53.96 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.98 -52.48 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 -171.72 28.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -74.83 -57.83 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -112.61 49.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.21 48.11 6.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.445 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' GLY . 47.6 t -97.69 -59.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.11 -43.67 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.531 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.6 -44.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -44.19 -44.43 7.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -47.89 -49.0 31.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.1 mtp -67.11 -61.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.4 mtm -45.95 -34.73 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.0 -33.76 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.96 -62.92 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 88.3 m-85 -75.92 -8.54 57.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 61.45 47.02 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -175.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -131.75 116.21 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -104.91 129.95 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -117.94 126.53 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 99.4 t -107.24 139.01 20.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.746 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 54.4 Cg_endo -69.74 132.6 23.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -55.63 168.44 0.62 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.058 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 52.4 Cg_endo -69.89 -27.57 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.264 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -69.71 -36.1 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 93.0 mt -67.67 -23.34 65.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 49.07 50.73 17.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -114.4 153.81 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -118.8 22.83 11.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -115.56 117.21 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 63' ' ' ALA . 53.7 mt -94.71 135.83 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -101.45 121.93 42.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.3 mt -113.3 123.34 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.2 m -99.93 142.13 31.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.47 172.37 24.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.52 141.4 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.883 0.373 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -37.56 -41.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.06 25.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -60.37 -52.79 63.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.5 mt -42.05 -43.87 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.92 -55.5 34.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 5.5 mtm180 -58.25 -55.47 34.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.85 -62.28 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -44.26 -42.37 6.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.29 75.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.23 -52.38 52.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.41 -56.76 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 mt -43.27 -53.39 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -57.6 -41.41 81.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.97 -40.02 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.2 -41.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.38 -54.31 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.1 mt -47.65 -59.75 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' GLU . 4.2 pt20 -50.79 -43.91 58.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 91' ' ' ASP . . . -50.8 -30.48 14.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.66 -71.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -44.66 -24.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 86' ' ' GLN . 38.8 tt0 -88.17 -39.28 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 87' ' ' ALA . 11.8 m-20 -42.19 -55.68 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -56.37 -31.22 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.15 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.18 -26.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -62.3 139.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.0 p 41.91 39.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -138.24 130.25 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HE2' ' N ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -61.66 131.35 49.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 t -89.44 -56.57 3.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.45 146.24 4.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.0 Cg_endo -69.85 2.87 3.19 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.2 m -34.6 -57.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.4 p -96.03 -48.92 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.463 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -108.77 87.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.09 115.44 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.04 122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -82.24 98.69 8.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -141.01 113.51 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.9 144.52 11.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -120.63 151.87 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.313 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -155.43 132.82 11.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.72 109.25 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -147.11 134.12 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -128.48 118.46 23.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.18 117.12 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.95 -49.0 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 16' ' ' PRO . 5.7 p -72.22 136.32 81.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' N ' HG23 ' A' ' 15' ' ' VAL . 53.8 Cg_endo -69.82 -175.09 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.93 154.68 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -91.82 123.63 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 pt -111.96 169.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.74 126.21 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 t -114.37 137.49 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.74 107.69 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -153.03 127.5 4.6 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.687 0.756 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.79 137.34 35.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.406 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 22.8 t80 -58.31 -18.77 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.69 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.6 -31.24 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.424 ' CD2' HD13 ' A' ' 62' ' ' ILE . 55.9 m170 -40.65 -57.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -44.29 -37.27 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.27 -34.21 25.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.98 -57.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -54.03 -61.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.8 -179.16 23.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -74.97 -34.62 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 36' ' ' GLY . 13.5 tttt -129.53 43.62 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 37.08 43.54 0.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m -98.99 -47.77 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.836 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.19 -41.97 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG21 ' CE ' ' A' ' 43' ' ' MET . 19.1 mt -74.12 -46.58 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -43.16 -43.23 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -43.95 -49.89 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLU . 23.3 mtp -67.16 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' HG21 ' A' ' 39' ' ' ILE . 26.9 mtm -39.87 -30.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.97 -34.12 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -70.06 -49.11 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 93.6 m-85 -93.21 -8.04 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 62.12 45.59 6.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.24 -176.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -129.88 112.99 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 98.2 mt -95.1 134.06 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -121.61 129.75 53.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 89.3 t -109.5 138.0 20.46 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.186 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.3 Cg_endo -69.82 139.63 40.5 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.27 165.19 0.53 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.485 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 53.7 Cg_endo -69.75 -31.1 21.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.54 -34.35 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.83 -21.67 57.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 37.89 52.0 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 148.2 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.22 20.19 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.2 mm -122.28 107.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 63' ' ' ALA . 57.8 mt -84.58 139.34 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -101.26 122.67 44.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -116.77 129.7 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.4 m -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.64 178.56 35.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' ALA . 80.0 mt -70.89 136.1 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.96 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -73.95 -51.88 14.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -63.71 -44.05 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.44 -39.24 57.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.18 -51.55 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 4.2 mtt-85 -63.58 -55.44 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -52.86 -40.06 63.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.84 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.67 -48.79 78.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.412 HD12 ' CE ' ' A' ' 42' ' ' MET . 12.2 tp -60.54 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -50.21 -49.51 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.35 -35.52 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -67.27 -32.87 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.19 -35.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -72.4 -34.44 67.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -27.45 27.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.31 -57.53 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.9 pt20 -61.69 -45.14 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.61 -72.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -46.3 -23.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 6.3 mm-40 -91.37 -33.48 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -43.62 -37.34 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -66.75 -59.33 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.16 -23.04 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -77.12 -50.63 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -66.08 -27.19 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -97.69 109.24 22.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.16 170.7 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -52.29 139.56 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -40.34 121.84 1.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.36 83.14 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.66 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.314 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.3 p -65.74 172.1 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -68.65 145.03 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 p -45.39 149.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -72.99 135.54 44.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 120.4 5.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -173.74 120.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.91 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -69.94 -50.73 39.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.71 46.86 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -56.38 106.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -147.78 148.4 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 73.36 25.02 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -148.16 141.9 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -143.83 130.22 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.34 167.65 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -122.31 -34.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 85.2 t -70.85 138.83 85.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.739 . . . . 0.0 111.164 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.79 178.73 4.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.81 153.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 m -94.76 147.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 pt -130.35 -177.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -130.21 122.91 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.35 131.52 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.47 110.66 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.8 t -146.87 123.91 5.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 132.5 23.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 21.0 t80 -53.65 -31.42 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.34 -19.51 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' HIS . 27.9 mt -97.38 -34.8 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 42.6 m170 -34.77 -58.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -42.74 -43.8 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' LEU . 25.9 m-85 -76.91 -40.51 47.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.66 -62.61 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 63.2 mt -49.47 -43.75 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.8 -177.18 52.32 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -52.8 -60.64 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLY . 8.0 tmtm? -131.74 79.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.76 44.24 0.46 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.9 m -95.76 -59.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.16 -40.73 4.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 83.7 mt -79.95 -40.74 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -47.79 -45.76 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -48.54 -52.68 21.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . 46.1 mtp -62.01 -63.19 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 77.9 mtm -41.43 -47.24 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.27 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -75.38 -62.99 1.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 53.8 m-85 -79.81 4.58 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 48.12 50.42 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.15 -179.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -125.27 122.57 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -105.57 130.61 56.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.11 118.34 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 48.6 t -101.34 137.63 19.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.86 134.63 28.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -55.74 166.25 1.08 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 53.0 Cg_endo -69.75 -27.33 26.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.16 -13.07 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.7 mt -91.72 -22.82 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -109.9 151.43 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.57 20.07 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mm -117.76 116.36 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 63' ' ' ALA . 56.4 mt -92.72 136.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.098 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -99.59 119.09 37.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.45 124.09 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 66' ' ' GLY . 87.7 m -101.64 138.42 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 65' ' ' THR . . . 160.33 168.61 22.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 mt -62.27 139.02 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.786 0.327 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.37 -39.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.83 -48.46 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 48.7 m-20 -65.67 -46.25 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 66' ' ' GLY . 53.2 mt -49.18 -37.52 22.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.11 -65.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -50.65 -43.62 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -66.53 -58.34 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.35 -35.07 50.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.81 87.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.24 -44.7 64.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' ARG . 13.8 tp -61.58 -60.44 3.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.58 -48.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -67.29 -39.44 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 6.0 tpt180 -60.29 -39.2 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.35 -54.63 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -54.63 -39.13 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.79 -46.24 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.2 mt -54.86 -58.7 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -51.71 -46.13 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.2 -28.66 42.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' GLU . 76.1 mm-40 -90.17 -71.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -40.29 -27.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' ASP . 7.0 tp10 -83.16 -45.26 14.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' GLU . 43.2 t0 -35.49 -39.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -61.39 -61.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.44 -54.26 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.4 tp -40.76 -40.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -86.84 98.55 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -128.51 141.11 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -38.63 109.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLY . 8.8 tppt? -89.82 141.48 28.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -48.2 91.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . . . 46.39 86.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 103.29 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 m -52.36 133.18 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -43.95 150.44 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.537 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -145.96 113.25 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -63.39 -40.34 96.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.64 79.37 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.74 93.2 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -120.51 115.02 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.3 59.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.547 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.8 mptt -111.96 153.96 25.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.37 108.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.74 101.69 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tt -155.14 133.88 12.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -138.45 123.35 18.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.81 123.88 12.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.8 mt -57.71 -47.98 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 91.2 t -82.51 138.81 44.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.83 -176.94 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.743 2.296 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 71' ' ' LEU . 3.7 m -146.18 155.57 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 m -92.57 134.22 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.407 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 23.4 pt -119.03 169.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -121.19 123.65 42.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -116.93 127.34 74.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.28 114.48 9.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t -157.02 125.83 3.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.45 35.38 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 27.2 t80 -57.58 -21.75 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.67 -21.47 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' A' ' 82' ' ' VAL . 74.0 mt -101.02 -28.84 12.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 41.2 m170 -39.75 -57.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.5 ptp180 -46.55 -36.24 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -82.89 -27.16 30.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.55 -54.71 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -64.25 -38.19 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.35 -156.16 36.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -91.09 -46.3 8.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' GLY . 21.3 mtpp -121.89 52.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.84 40.85 0.22 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -88.91 -49.92 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 41' ' ' LYS . . . -54.41 -30.68 49.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt -85.08 -33.22 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -59.36 -50.39 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 7.2 pttp -41.68 -37.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.4 mtp -81.42 -41.66 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.01 -29.93 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -84.55 -27.04 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.8 -55.07 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 52.2 m-85 -86.32 1.47 50.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 49.95 28.75 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.06 -177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -130.68 119.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.8 mt -100.73 132.68 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -122.24 127.9 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -104.3 138.92 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.672 0.749 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.71 135.95 31.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.99 153.44 3.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.637 0.732 . . . . 0.0 111.065 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.84 31.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.13 -6.71 57.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.4 mt -99.2 -21.34 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 56.33 33.64 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 7.2 t -83.42 136.72 34.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.4 19.78 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.86 120.41 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -90.63 141.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.83 123.27 47.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 59.1 mt -116.53 130.0 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.1 m -105.87 137.21 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.9 173.03 31.12 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 41.0 mt -66.71 140.3 57.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.26 -43.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.12 76.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -64.84 -49.81 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 17' ' ' VAL . 21.4 mt -48.26 -35.08 11.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -44.53 75.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 8.5 mtp180 -69.37 -54.16 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -56.8 -57.32 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -48.36 -47.13 37.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.85 -39.11 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.93 -55.69 10.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.29 -55.51 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -47.08 -60.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.32 -33.4 58.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.98 -37.78 88.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 27' ' ' LEU . 20.3 t -69.28 -41.06 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.96 -44.11 93.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.15 -34.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.22 -37.86 78.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 2.0 pt20 -75.88 -26.3 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.93 28.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 9.0 pt-20 -82.21 -44.62 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 3.3 pt20 -70.14 -23.29 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 27.3 mm-40 -91.76 -38.07 12.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' GLU . 7.5 t0 -38.22 -56.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -51.94 -36.21 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -73.7 -42.42 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 43.94 54.42 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' PHE . 35.9 t -133.92 84.32 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.3 p90 -37.61 139.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -117.19 106.11 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.4 t -89.0 139.81 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -122.44 150.89 16.9 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 149.68 67.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.3 t -98.77 141.69 31.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.7 t -102.14 -45.63 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -105.42 131.56 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -106.62 144.02 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.99 113.83 1.13 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -110.06 165.91 11.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -85.8 176.13 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.5 113.66 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -149.58 162.21 40.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -166.64 128.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.35 21.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 tp -121.75 126.7 49.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -119.71 115.6 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.58 159.63 41.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 pp -91.45 -37.83 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.2 p -72.04 136.42 82.23 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.638 0.732 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.8 -178.93 2.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 m -142.08 150.08 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 m -90.64 134.17 34.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 pt -119.55 -175.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -132.02 133.62 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.87 138.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.64 112.2 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.6 131.35 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.34 23.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 55' ' ' PRO . 41.6 t80 -57.79 -13.39 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.5 -12.22 60.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.6 mt -103.58 -25.45 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -41.6 -60.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -47.0 -31.69 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -86.21 -25.07 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.7 t -78.13 -52.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -59.72 -47.39 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.69 -164.72 19.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.18 -41.32 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -118.56 48.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.82 36.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLY . 78.1 p -95.78 -47.0 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.404 . . . . 0.0 110.818 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.86 -71.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.45 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.05 -38.33 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.29 42.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -48.36 -43.18 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 41.6 mtp -71.89 -44.07 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.7 mtm -58.87 -24.04 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -34.1 12.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.5 -57.8 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 73' ' ' ARG . 94.0 m-85 -78.1 -2.32 36.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 52.0 52.64 14.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 30.2 m -139.37 176.01 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.99 126.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 51' ' ' HIS . 84.2 mt -107.06 136.41 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' N ' HG21 ' A' ' 50' ' ' ILE . 11.6 m170 -121.75 122.35 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.94 130.32 23.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.541 0.686 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.64 68.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.57 165.75 22.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.519 0.676 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 53.3 Cg_endo -69.72 -30.21 22.82 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.74 2.293 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.99 -20.4 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.58 -14.92 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 38.88 44.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -92.13 143.27 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.97 16.56 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -120.1 107.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -83.05 148.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.32 124.68 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.5 mt -115.85 128.93 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 66' ' ' GLY . 61.7 m -106.46 139.58 40.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 65' ' ' THR . . . 158.28 176.98 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.8 mt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -36.65 -38.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.53 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -73.86 -41.12 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt -55.74 -32.45 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.79 -61.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 13.1 ptt180 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -50.05 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -61.23 -42.71 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.62 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.65 -50.48 11.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.71 -52.49 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.0 mt -46.0 -54.87 7.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.91 -33.86 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -69.72 -33.95 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.81 -54.2 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -54.53 -45.58 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.86 -51.72 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.33 -57.43 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -60.13 -26.46 66.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -31.26 56.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -80.35 -58.39 3.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -52.65 -31.93 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LEU . 63.3 tt0 -81.29 -46.7 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -53.16 -50.31 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -60.51 -30.13 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.68 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -51.44 -28.47 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 51.45 47.33 25.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 t -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -65.13 173.19 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -119.34 161.57 20.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.8 t -72.76 -57.75 3.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.45 164.61 11.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 103' ' ' SER . 91.7 p -50.0 112.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 102' ' ' SER . 83.4 p 35.32 46.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -125.59 94.59 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -159.34 171.16 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.54 134.66 6.5 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -155.79 149.8 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.9 m -49.82 157.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.16 -174.33 19.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.53 158.8 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.63 150.45 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.43 115.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -159.52 142.62 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -130.42 106.08 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.8 138.0 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -75.02 -37.53 61.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.26 132.93 37.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 177.79 5.26 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.49 165.3 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -105.47 138.9 40.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 21.7 pt -118.56 -178.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -132.83 128.76 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.45 135.34 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -81.61 101.2 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 82' ' ' VAL . 93.9 t -140.97 133.1 14.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.94 41.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 6.7 t80 -59.81 -28.3 67.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.95 -30.01 70.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.35 -24.55 25.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.1 m170 -48.41 -49.74 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 8.7 ptp180 -56.3 -25.55 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 12.5 m-85 -91.41 -31.17 16.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.94 -52.02 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mt -57.97 -54.77 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.38 177.77 32.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.395 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.99 -57.69 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -111.62 46.34 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.87 41.2 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 p -94.72 -26.89 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.812 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.48 -43.62 76.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mt -82.84 -37.45 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.853 0.359 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.35 -51.35 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.0 mtm -64.26 -59.29 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.6 mtm -40.82 -29.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.85 -32.09 17.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.617 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -72.69 -48.76 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 76.3 m-85 -89.28 -15.08 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 65.82 42.26 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 16.1 m -122.72 -175.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -125.64 123.03 38.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -112.43 130.71 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -123.64 129.05 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 53' ' ' PRO . 87.0 t -107.26 138.78 19.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.74 133.28 25.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 55' ' ' PRO . . . -60.04 168.45 2.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 52.8 Cg_endo -69.79 -26.92 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.99 -15.34 62.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 mt -94.78 -26.99 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 50.32 53.91 12.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -111.46 140.44 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.36 19.18 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.56 115.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 63' ' ' ALA . 58.9 mt -92.51 137.08 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -101.6 131.02 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 52.4 mt -123.69 125.18 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -99.74 140.91 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.437 ' N ' HD22 ' A' ' 71' ' ' LEU . . . 156.11 171.08 22.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.19 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.71 -35.46 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.81 -47.96 64.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.463 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 27.6 m-20 -67.3 -41.25 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 66' ' ' GLY . 14.0 mt -54.18 -36.59 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.18 -61.52 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.5 -46.76 73.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.31 3.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -48.15 -33.81 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.65 91.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.52 -37.35 78.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.06 -52.47 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.9 mt -50.11 -48.56 53.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -75.11 -36.24 61.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.447 HG22 ' CG2' ' A' ' 23' ' ' VAL . 53.1 t -72.72 -34.23 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -77.03 -34.97 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -80.62 -41.31 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.97 -56.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.53 -40.24 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.67 -20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' ASP . 13.5 mt-10 -91.78 -72.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -41.78 -27.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.56 -40.1 17.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' GLU . 34.0 t70 -46.57 -39.59 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -77.08 -30.51 55.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.38 68.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -60.93 -40.6 93.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -38.79 130.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 m 61.81 39.44 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.65 -59.8 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -115.03 167.98 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 p -67.72 -51.02 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.48 151.67 19.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.31 60.89 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -172.58 116.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.6 p -128.63 169.25 14.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.674 0.749 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.348 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.827 HG23 HD11 ' A' ' 71' ' ' LEU . 3.0 m -147.06 150.37 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -94.41 137.6 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD13 ' HB3' ' A' ' 71' ' ' LEU . 41.0 pt -120.81 -176.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -130.62 129.0 42.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 64' ' ' ILE . 10.1 t -122.28 132.73 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.14 117.49 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 HG21 ' A' ' 82' ' ' VAL . 85.4 t -154.39 134.33 7.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.578 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 130.08 18.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.5 -18.9 21.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.85 -16.41 63.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 92.0 mt -100.03 -30.9 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.0 m170 -38.93 -64.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -39.85 -35.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -81.32 -34.57 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' HIS . 61.3 t -69.49 -50.74 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.031 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -50.88 -34.52 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.76 -35.65 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtp -75.42 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 58.8 mtm -45.06 -29.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -62.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -73.41 -6.2 44.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 54.55 53.67 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.2 m -136.4 -178.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -125.9 117.96 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.61 130.92 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -123.68 125.78 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.2 t -102.52 138.76 19.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -57.66 163.52 3.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.73 -31.22 21.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.75 -10.75 59.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.98 -30.43 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 57.46 35.88 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -94.98 140.98 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.58 15.08 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.3 mt -83.11 138.44 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.48 128.31 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 21' ' ' VAL . 21.4 mt -121.42 120.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.2 m -99.38 140.18 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 155.51 175.31 26.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' ASN . 90.8 mt -65.31 135.46 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.87 -34.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.043 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -44.57 75.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -72.69 -37.52 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.3 mt -58.71 -34.23 71.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -58.4 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 1.7 ptp180 -57.21 -43.92 83.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.89 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -50.35 -36.31 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.09 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.07 -44.44 60.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.52 -58.73 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.07 -49.52 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.9 -36.94 81.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 tpt85 -64.76 -35.46 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 27' ' ' LEU . 58.4 t -71.44 -44.6 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -65.55 -35.76 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -78.87 -32.62 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 16' ' ' PRO . 11.1 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.8 177.8 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 71' ' ' LEU . 2.6 m -141.59 159.97 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -101.31 134.84 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 pt -123.38 175.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -121.27 136.43 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.563 HG11 HD23 ' A' ' 78' ' ' LEU . 20.2 t -129.68 116.32 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -68.01 112.83 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 24' ' ' PRO . 98.0 t -148.46 138.45 12.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.4 Cg_endo -69.67 126.63 13.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 9.4 t80 -53.37 -36.01 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.76 -20.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.691 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.7 mt -96.61 -34.44 11.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 29.8 m170 -37.53 -58.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -45.65 -39.35 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' LEU . 16.8 m-85 -77.73 -41.52 37.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.16 -53.52 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -50.28 -53.11 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -46.99 -46.16 21.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.0 mtp -66.43 -62.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 70.8 mtm -43.99 -47.74 8.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -36.59 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -67.68 -57.71 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.719 ' O ' HG13 ' A' ' 48' ' ' VAL . 48.6 m-85 -90.11 11.63 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' MET . 4.8 mm-40 41.97 36.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 46' ' ' PHE . 34.6 m -106.75 -176.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -131.93 116.84 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.36 130.67 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -123.32 125.58 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 53' ' ' PRO . 92.9 t -107.49 138.65 20.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.1 Cg_endo -69.72 132.49 23.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -54.99 166.58 0.77 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.8 Cg_endo -69.78 -19.04 36.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 0.0 112.335 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.04 -29.46 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.32 -24.27 59.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 50.85 52.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 144.19 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.76 11.77 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 mm -102.84 109.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -88.36 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.62 128.76 52.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 HG21 ' A' ' 21' ' ' VAL . 69.2 mt -120.42 119.24 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -96.3 136.23 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.406 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 163.03 172.91 31.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 85.9 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.44 -41.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -53.48 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.3 m-20 -59.32 -46.19 89.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.895 HD11 HG23 ' A' ' 17' ' ' VAL . 40.1 mt -48.56 -43.03 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -55.85 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.76 -57.02 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -59.99 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -44.64 -44.68 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.86 84.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 HG11 ' A' ' 21' ' ' VAL . 17.5 tp -69.0 -60.05 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -45.25 -46.39 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.43 -40.19 89.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -57.82 -38.41 75.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.691 HG13 ' CD1' ' A' ' 27' ' ' LEU . 95.4 t -69.09 -56.16 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -51.23 -34.42 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -41.29 20.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.8 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.584 0.707 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.6 Cg_endo -69.73 179.49 3.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 HD11 ' A' ' 71' ' ' LEU . 4.2 m -145.57 156.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 m -101.29 128.74 47.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -111.69 -175.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -139.08 130.3 26.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.61 149.48 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.11 108.12 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.799 HG22 HG21 ' A' ' 82' ' ' VAL . 97.6 t -147.49 132.58 9.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.81 135.04 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.15 -19.29 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.5 -11.75 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.726 ' CD1' HG13 ' A' ' 82' ' ' VAL . 91.8 mt -105.19 -30.19 9.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -40.88 -51.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -49.03 -37.75 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -82.3 -38.95 23.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.77 -56.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ARG . 62.1 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' ILE . 1.4 tpm_? -35.3 -48.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -51.56 -50.38 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.2 mtm -62.81 -52.9 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.8 mtm -51.18 -41.74 60.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.16 -46.43 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.58 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 46.7 m-85 -76.9 -0.75 25.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 50.01 47.25 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.3 m -125.81 179.01 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -126.39 115.58 19.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG12 HG23 ' A' ' 64' ' ' ILE . 62.3 mt -102.77 129.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' ILE . 25.4 m-70 -114.39 130.75 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.9 t -109.96 138.69 20.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.8 141.55 45.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.709 2.272 . . . . 0.0 112.316 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -65.97 161.63 53.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.1 Cg_endo -69.75 -18.52 36.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -22.91 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.9 mt -87.08 -21.6 25.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.3 50.7 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -106.19 138.3 42.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.27 19.78 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -119.89 117.22 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' HIS . 62.5 mt -92.76 139.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.55 127.46 53.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 50' ' ' ILE . 16.1 mt -115.91 131.09 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -107.61 137.64 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.31 176.19 32.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.7 mt -67.24 136.69 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -36.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.02 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 7.9 m-20 -62.55 -44.56 96.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 18.9 mt -50.61 -37.77 42.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.47 -43.86 96.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.6 mtp85 -70.6 -53.74 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -54.46 -57.41 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -48.28 -41.56 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.45 78.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.04 -37.52 82.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.81 -51.8 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.11 -26.75 66.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -72.88 -33.85 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.799 HG21 HG22 ' A' ' 23' ' ' VAL . 90.7 t -72.76 -42.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -65.51 -37.48 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.33 -49.56 11.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.566 HG23 ' HD2' ' A' ' 16' ' ' PRO . 10.3 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.623 0.725 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.73 179.26 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.021 HG23 HD11 ' A' ' 71' ' ' LEU . 1.7 m -145.26 152.76 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.5 m -97.81 139.62 33.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -121.93 -177.71 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -129.14 126.32 39.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.6 t -118.82 125.41 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.52 110.14 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 82' ' ' VAL . 55.2 t -150.3 130.86 7.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.74 133.39 25.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 22.7 t80 -57.59 -18.69 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.72 -12.93 61.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' HG2' ' A' ' 24' ' ' PRO . 85.0 mt -104.46 -28.29 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 47.5 m170 -42.77 -61.76 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -44.08 -32.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.29 -32.4 26.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.9 t -74.95 -59.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.456 HG22 ' HG3' ' A' ' 43' ' ' MET . 67.5 mt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.904 0.383 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -46.43 -26.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -45.48 78.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 82.8 mtp -68.67 -55.78 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.456 ' HG3' HG22 ' A' ' 39' ' ' ILE . 44.5 mtm -47.56 -28.03 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.95 -42.69 12.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.49 -57.59 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.673 ' O ' HG13 ' A' ' 48' ' ' VAL . 74.9 m-85 -83.04 3.9 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 47.22 42.82 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 46' ' ' PHE . 35.6 m -122.81 -179.51 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.39 115.58 19.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -99.33 133.43 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 62' ' ' ILE . 12.3 m170 -120.3 131.19 54.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -108.9 138.8 20.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.78 137.39 35.31 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -58.58 157.09 20.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.1 Cg_endo -69.89 -11.86 31.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.47 -8.36 53.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -97.2 -26.61 14.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 58.59 37.11 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 4.9 t -90.97 138.73 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.39 21.3 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -123.7 116.95 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 51' ' ' HIS . 59.1 mt -90.01 137.19 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.35 126.6 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.663 ' CD1' HG21 ' A' ' 21' ' ' VAL . 50.0 mt -119.47 128.22 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.8 m -104.77 142.54 34.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.561 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.4 169.48 21.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ASN . 59.8 mt -62.87 138.35 58.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.63 -36.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.94 57.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.8 m-20 -65.44 -45.11 85.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.021 HD11 HG23 ' A' ' 17' ' ' VAL . 23.9 mt -50.25 -35.77 28.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.96 -51.61 60.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 9.6 mtt180 -60.66 -57.64 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -61.36 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE2' HD11 ' A' ' 79' ' ' LEU . 43.7 tttt -46.37 -42.77 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.89 -44.67 29.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 21' ' ' VAL . 11.0 tp -63.58 -52.52 60.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HE2' ' A' ' 75' ' ' LYS . 77.0 mt -45.71 -49.97 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.69 -40.8 96.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.19 -36.17 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 23' ' ' VAL . 68.9 t -70.17 -50.06 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -56.08 -33.91 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.49 -51.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.578 0.704 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.87 179.66 3.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.945 HG23 HD11 ' A' ' 71' ' ' LEU . 3.3 m -146.0 152.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -94.54 139.37 31.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 71' ' ' LEU . 21.8 pt -122.13 178.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.48 132.61 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.99 142.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -86.61 107.05 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.048 HG22 HG21 ' A' ' 82' ' ' VAL . 53.3 t -146.55 129.89 8.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.1 Cg_endo -69.75 136.58 33.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.4 t80 -60.4 -12.88 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.69 -11.32 60.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 24' ' ' PRO . 84.5 mt -109.29 -23.98 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 27.9 m170 -41.84 -59.45 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -46.43 -30.55 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -86.35 -31.4 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 39' ' ' ILE . 71.2 t -71.5 -50.84 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.414 HD11 HG12 ' A' ' 31' ' ' VAL . 46.7 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HA ' ' CE ' ' A' ' 43' ' ' MET . 60.1 mtt180 -41.53 -42.01 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.6 -53.18 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 mtm -65.63 -47.36 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 40' ' ' ARG . 60.8 mtm -53.06 -25.2 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.14 -28.71 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -78.73 -55.72 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.05 -7.68 59.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 62.1 27.57 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -107.38 -175.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -132.77 112.91 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.8 mt -97.55 130.11 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -120.03 129.52 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.8 t -110.38 138.85 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.74 135.11 29.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.63 1.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.77 -23.33 30.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.29 -21.17 50.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD12 ' H ' ' A' ' 54' ' ' ALA . 69.9 mt -80.27 -25.82 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 51.26 48.6 22.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -108.44 146.2 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.24 20.63 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mm -120.38 116.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.06 141.42 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.2 127.65 53.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mt -119.22 129.59 75.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.0 m -104.57 138.32 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 174.51 30.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.6 mt -69.05 138.22 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.727 0.299 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.21 -42.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.21 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.2 m-20 -69.33 -48.4 61.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.945 HD11 HG23 ' A' ' 17' ' ' VAL . 14.0 mt -47.8 -42.25 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -50.27 74.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -65.54 -55.59 16.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.8 -59.19 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HD2' HD12 ' A' ' 19' ' ' ILE . 86.2 tttt -45.18 -44.66 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.07 -36.14 70.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.43 -49.01 67.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.7 -52.21 65.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.29 -53.66 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.58 -35.15 80.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.79 -31.73 73.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.048 HG21 HG22 ' A' ' 23' ' ' VAL . 44.7 t -73.61 -47.58 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -61.25 -30.5 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -86.05 -44.69 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG23 ' HD2' ' A' ' 16' ' ' PRO . 4.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.617 0.722 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -145.96 162.73 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 m -102.09 139.88 37.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 71' ' ' LEU . 32.5 pt -121.59 -178.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -128.54 130.05 46.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -125.42 124.21 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -68.26 113.67 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.819 HG22 HG21 ' A' ' 82' ' ' VAL . 52.0 t -151.24 129.77 6.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.736 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.14 -24.5 54.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.18 -9.38 22.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.711 ' CD1' HG13 ' A' ' 82' ' ' VAL . 44.1 mt -104.87 -31.75 9.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CE1' HG13 ' A' ' 52' ' ' VAL . 39.7 m170 -39.63 -63.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -39.42 -38.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.93 -42.84 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -59.09 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 50' ' ' ILE . 77.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 10.4 tpt180 -37.88 -57.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ARG . 28.8 tttt -35.39 -48.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 84.3 mtp -68.06 -55.28 13.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.1 mtm -48.21 -33.63 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -82.67 -48.69 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.47 -59.57 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 48' ' ' VAL . 68.5 m-85 -81.48 9.34 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 41.26 46.5 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 46' ' ' PHE . 15.0 m -127.45 -179.99 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -129.79 114.72 16.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 39' ' ' ILE . 70.5 mt -94.2 131.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.0 126.26 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.8 t -107.82 138.82 20.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.8 142.06 46.76 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.93 160.02 41.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.74 -13.15 34.32 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -82.21 -14.45 55.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -96.62 -19.62 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.48 49.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -104.22 148.33 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.65 22.02 13.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mm -119.81 116.65 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -91.94 141.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.26 123.79 48.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.37 130.77 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 m -102.59 143.88 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 154.38 170.72 20.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.428 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 16' ' ' PRO . 92.4 mt -66.41 141.72 57.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.31 -40.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -53.45 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -61.12 -46.94 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 17' ' ' VAL . 62.7 mt -48.16 -41.71 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.0 -53.62 51.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -58.41 -57.18 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -55.7 -53.11 60.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 79' ' ' LEU . 18.1 tttm -54.28 -49.03 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.43 -20.26 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.04 -43.66 7.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.06 -50.03 63.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 75' ' ' LYS . 74.2 mt -45.79 -44.89 14.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.77 -37.89 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -62.6 -37.16 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.819 HG21 HG22 ' A' ' 23' ' ' VAL . 99.4 t -71.47 -50.97 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -55.04 -38.89 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -49.02 20.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.682 0.754 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.82 179.38 3.77 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.896 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -147.97 155.73 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 m -95.89 146.07 24.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 71' ' ' LEU . 25.6 pt -129.64 -175.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.64 130.94 38.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 64' ' ' ILE . 5.5 t -125.0 121.6 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.7 112.87 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.869 HG22 HG21 ' A' ' 82' ' ' VAL . 73.0 t -150.71 129.97 6.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.77 134.47 28.06 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.726 2.284 . . . . 0.0 112.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.5 t80 -57.05 -24.75 56.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.92 -13.51 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.807 ' CD1' HG13 ' A' ' 82' ' ' VAL . 70.2 mt -102.39 -32.1 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CE1' HG13 ' A' ' 52' ' ' VAL . 51.9 m170 -40.08 -60.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -42.28 -36.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -81.92 -38.73 24.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.56 -60.14 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 41.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 94.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ILE . 9.7 tpt180 -38.18 -45.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -38.72 -54.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.9 mtp -64.29 -60.88 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.9 mtm -43.83 -29.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -88.65 -37.26 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.03 -60.62 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -79.83 11.35 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 36.83 53.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -132.02 177.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -123.72 118.23 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.35 137.43 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -131.01 123.3 28.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 53' ' ' PRO . 55.5 t -105.86 137.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.66 135.69 31.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.05 161.52 2.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.705 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.69 -18.34 37.38 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.45 -21.61 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -85.53 -26.63 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 58.02 38.81 26.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 138.38 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.17 22.93 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.2 mm -120.28 122.73 69.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.9 mt -98.78 138.82 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.86 127.4 47.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.59 ' CD1' HG21 ' A' ' 21' ' ' VAL . 8.7 mt -120.13 129.03 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -106.46 141.14 38.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 159.16 176.5 31.28 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ASN . 71.9 mt -67.61 136.15 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.88 -43.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.3 94.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 67' ' ' LEU . 28.3 m-20 -68.47 -49.37 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.896 HD11 HG23 ' A' ' 17' ' ' VAL . 18.5 mt -45.94 -38.34 7.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -56.69 12.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -58.01 -55.68 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -61.88 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -44.47 -39.23 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.38 94.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.52 -38.72 93.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HG11 ' A' ' 21' ' ' VAL . 19.0 tp -70.06 -52.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -43.01 34.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.94 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -64.15 -36.7 84.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.869 HG21 HG22 ' A' ' 23' ' ' VAL . 84.9 t -74.21 -40.83 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.84 -26.75 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -93.2 -32.5 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.84 178.59 4.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -140.82 160.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -96.35 136.81 36.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 64' ' ' ILE . 12.6 pt -117.96 -175.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.49 125.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 78' ' ' LEU . 2.6 t -120.53 133.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.49 115.59 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.954 HG22 HG21 ' A' ' 82' ' ' VAL . 50.7 t -154.36 129.48 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.83 136.05 31.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 20.0 t80 -58.16 -20.89 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -66.65 -11.89 55.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 82' ' ' VAL . 84.1 mt -105.44 -29.7 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 m170 -42.63 -60.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -43.93 -31.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.58 -37.01 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 39' ' ' ILE . 79.5 t -67.66 -62.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 61.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 50' ' ' ILE . 92.5 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.78 -51.41 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 42' ' ' MET . 7.0 tmtt? -43.19 -44.06 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.479 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 62.6 mtp -71.59 -56.24 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 mtm -45.8 -30.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.97 -41.5 14.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.75 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' HB2' HG22 ' A' ' 48' ' ' VAL . 80.0 m-85 -75.69 -5.19 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 54.32 49.73 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 70' ' ' ASN . 6.5 m -132.88 176.89 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -122.47 113.13 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 39' ' ' ILE . 67.3 mt -95.17 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -125.42 127.28 46.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 53' ' ' PRO . 96.6 t -110.2 138.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.74 138.21 37.34 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.22 164.43 6.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.625 0.726 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.9 Cg_endo -69.74 -27.15 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.21 -10.8 60.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.74 -24.78 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 51.68 49.78 20.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -105.01 148.47 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -115.15 19.34 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -119.03 119.9 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.3 mt -95.81 143.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -108.78 129.71 55.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 19' ' ' ILE . 34.0 mt -120.33 121.16 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.3 m -96.15 139.81 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 156.12 173.99 25.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' ASN . 96.9 mt -66.42 138.06 57.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -34.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -71.15 -47.65 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB3' HG13 ' A' ' 48' ' ' VAL . 1.6 m-20 -66.15 -37.89 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -60.72 -35.3 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.67 -56.49 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -57.48 -42.57 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.97 -57.47 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' A' ' 79' ' ' LEU . 35.9 tttp -50.16 -35.72 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.88 64.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 21' ' ' VAL . 15.2 tp -63.17 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.53 HD11 ' HE3' ' A' ' 75' ' ' LYS . 79.3 mt -39.06 -47.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.55 -38.63 77.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 3.6 tpt180 -59.86 -33.58 71.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.954 HG21 HG22 ' A' ' 23' ' ' VAL . 49.6 t -72.94 -45.77 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -59.53 -34.07 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -84.52 -43.03 14.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.655 0.74 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.82 177.33 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.761 HG23 HD11 ' A' ' 71' ' ' LEU . 5.3 m -147.58 149.64 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -93.71 134.54 35.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.7 -179.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -131.43 129.11 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 78' ' ' LEU . 2.5 t -119.78 136.49 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.12 106.26 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.905 HG22 HG21 ' A' ' 82' ' ' VAL . 94.5 t -143.95 127.6 9.02 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 132.9 24.17 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 18.4 t80 -55.27 -29.22 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.41 -18.16 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.18 -30.84 11.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 26.0 m170 -40.91 -58.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -41.33 -38.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 16.8 m-85 -81.85 -40.83 21.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.86 -56.58 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -43.45 -36.65 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -55.25 -42.92 74.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' GLU . 43.5 mtp -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.3 mtm -45.06 -30.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.24 -29.63 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' MET . 5.1 tp10 -81.69 -62.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 86.4 m-85 -76.95 -0.45 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 52.84 48.84 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -130.3 177.42 6.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -123.24 125.64 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.6 mt -112.11 130.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -120.2 123.83 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 86.4 t -104.01 138.64 19.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.3 Cg_endo -69.7 132.46 23.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.78 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.46 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.739 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.78 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.4 Cg_endo -69.74 -30.87 21.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -66.58 -22.98 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.94 -21.37 26.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 47.05 51.16 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -104.62 150.24 24.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.51 20.04 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -118.7 117.73 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.7 mt -92.92 138.45 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.1 128.69 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.08 122.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -99.15 143.09 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 155.81 177.13 28.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 66.2 mt -68.56 136.31 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.8 -41.32 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.75 80.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.5 m-20 -66.66 -45.42 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.4 mt -50.82 -40.61 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -50.33 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.1 mtm180 -64.66 -55.51 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.1 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HE2' HD11 ' A' ' 79' ' ' LEU . 62.0 tttt -45.21 -41.13 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.57 -47.16 58.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.406 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 21' ' ' VAL . 20.2 tp -58.06 -56.03 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 75' ' ' LYS . 67.1 mt -48.99 -45.12 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.81 -35.77 82.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -65.3 -40.4 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.905 HG21 HG22 ' A' ' 23' ' ' VAL . 39.0 t -69.18 -45.51 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -64.55 -30.43 71.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -85.33 -37.82 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.676 0.75 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.73 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.383 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -148.02 153.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 m -97.34 135.73 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 71' ' ' LEU . 34.0 pt -117.83 176.75 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.175 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' OE1' HG21 ' A' ' 61' ' ' ILE . 20.4 mt-10 -126.08 125.37 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.9 t -116.16 124.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.0 106.61 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 82' ' ' VAL . 92.4 t -145.43 133.47 10.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.675 0.75 . . . . 0.0 111.127 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.1 Cg_endo -69.75 137.41 35.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 29.8 t80 -60.87 -16.82 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.48 -16.41 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.89 ' CD1' HG13 ' A' ' 82' ' ' VAL . 69.7 mt -101.27 -26.88 13.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -44.02 -55.23 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -48.31 -33.47 8.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -80.88 -39.88 25.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 39' ' ' ILE . 65.8 t -64.92 -55.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' CG1' HG12 ' A' ' 31' ' ' VAL . 60.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -41.82 -49.49 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -39.28 -56.71 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mtp -58.35 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -44.48 -27.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.53 -28.31 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -85.85 -60.72 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.08 -11.73 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.28 53.6 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.669 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.3 m -134.66 178.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -120.13 119.85 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -108.41 135.68 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -126.08 121.32 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.3 t -102.06 133.58 20.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.87 134.84 28.7 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.05 168.23 4.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.71 -23.19 31.3 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.403 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 -15.9 61.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 49.56 45.59 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 140.62 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.33 23.44 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.521 HG21 ' OE1' ' A' ' 20' ' ' GLU . 3.4 mm -124.71 118.53 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.4 mt -92.12 137.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.55 125.09 46.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.579 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.7 mt -119.58 118.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.5 m -98.84 139.62 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.19 179.07 32.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ALA . 55.5 mt -68.17 135.92 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.26 -26.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -78.85 -44.78 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.669 ' HB3' HG13 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -70.81 -29.18 65.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 68' ' ' ALA . 10.9 mt -70.08 -34.7 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.86 -58.66 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -58.74 -43.9 90.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -53.23 -35.28 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.35 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.42 -40.59 23.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ARG . 12.3 tp -63.86 -58.75 5.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.1 mt -42.15 -49.19 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -69.86 -26.09 64.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tpt180 -75.26 -32.88 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.89 HG13 ' CD1' ' A' ' 27' ' ' LEU . 94.6 t -71.69 -39.93 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -69.93 -32.09 70.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -82.28 -55.67 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.7 Cg_endo -69.75 -178.76 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.56 153.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 m -95.24 132.59 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.482 HD13 ' HB3' ' A' ' 71' ' ' LEU . 37.7 pt -112.99 -179.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.39 126.56 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -119.27 139.18 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -83.67 105.23 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.907 HG22 HG21 ' A' ' 82' ' ' VAL . 79.5 t -142.14 130.93 11.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.742 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.47 25.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.476 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 28.7 t80 -58.35 -17.52 20.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.39 -18.9 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' TYR . 95.9 mt -101.45 -28.25 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 48.5 m170 -37.74 -58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -47.85 -36.98 12.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LEU . 24.4 m-85 -82.63 -28.7 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.32 -51.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.195 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 50' ' ' ILE . 74.8 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -40.49 -41.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -53.91 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -45.04 79.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.1 mtm -55.28 -30.6 60.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -23.85 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -88.23 -61.65 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 48' ' ' VAL . 42.2 m-85 -75.06 -3.35 32.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 50.07 50.41 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' PHE . 14.2 m -128.85 -175.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.15 122.54 35.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 39' ' ' ILE . 73.9 mt -110.04 134.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' ILE . 3.2 m-70 -123.21 142.55 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.8 t -122.68 138.66 29.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 134.92 29.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -59.47 168.26 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.75 -27.02 27.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.61 -34.78 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.8 -27.95 60.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 52.2 54.37 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -110.63 150.33 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.91 25.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.18 117.78 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 51' ' ' HIS . 49.5 mt -94.94 138.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.1 131.57 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 HD22 ' A' ' 78' ' ' LEU . 58.3 mt -122.76 123.22 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -99.03 133.12 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 164.91 169.48 28.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ALA . 79.7 mt -63.15 140.49 58.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.55 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.18 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.99 -51.02 69.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.892 HD11 HG23 ' A' ' 17' ' ' VAL . 18.9 mt -45.35 -39.55 6.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -50.84 72.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.6 mtt180 -64.49 -50.67 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 79' ' ' LEU . 56.7 tttt -46.17 -38.7 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.85 90.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.88 -55.86 10.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 tp -47.13 -54.38 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 ' HE2' ' A' ' 75' ' ' LYS . 78.5 mt -45.95 -61.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HA ' ' HZ2' ' A' ' 83' ' ' LYS . 9.8 mt-10 -49.91 -47.35 52.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 5.2 tpt85 -47.6 -42.51 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.907 HG21 HG22 ' A' ' 23' ' ' VAL . 84.5 t -73.65 -34.5 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HZ2' ' HA ' ' A' ' 80' ' ' GLU . 6.3 mtmp? -70.16 -33.01 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -85.54 -52.12 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 34.6 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.518 0.675 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.7 -175.72 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.768 HG23 HD11 ' A' ' 71' ' ' LEU . 3.8 m -143.29 158.21 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 m -98.04 131.39 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 64' ' ' ILE . 12.9 pt -114.79 -177.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.65 131.31 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -124.95 127.18 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.95 110.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.765 HG22 HG21 ' A' ' 82' ' ' VAL . 83.0 t -146.02 130.82 8.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.06 22.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -56.18 -21.29 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.68 -11.49 54.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 54.5 mt -106.08 -27.96 10.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.611 ' CE1' HG13 ' A' ' 52' ' ' VAL . 27.5 m170 -43.31 -60.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 16.8 ptt180 -47.33 -27.31 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 11.3 m-85 -90.54 -31.63 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' A' ' 39' ' ' ILE . 77.2 t -73.82 -53.18 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.043 HG23 HD12 ' A' ' 50' ' ' ILE . 73.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -52.91 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -44.89 -48.52 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.53 ' HE2' HD11 ' A' ' 50' ' ' ILE . 4.3 mtm -68.9 -36.55 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.0 mtm -65.88 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.14 -38.6 17.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.09 -49.0 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.903 ' O ' HG13 ' A' ' 48' ' ' VAL . 39.4 m-85 -89.85 8.92 29.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 45.8 31.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 46' ' ' PHE . 9.7 m -116.08 177.22 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -131.18 113.37 13.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.043 HD12 HG23 ' A' ' 39' ' ' ILE . 96.9 mt -81.08 148.73 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.1 t-80 -131.06 110.89 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.611 HG13 ' CE1' ' A' ' 28' ' ' HIS . 42.0 t -103.57 134.68 19.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.641 0.734 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.5 Cg_endo -69.69 142.59 48.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.4 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -63.73 163.43 21.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.2 Cg_endo -69.84 -22.07 32.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -78.32 -14.94 59.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.434 HD12 ' H ' ' A' ' 54' ' ' ALA . 66.3 mt -88.06 -27.42 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.54 47.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -113.13 148.59 35.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -116.42 25.28 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -117.83 116.76 52.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -94.68 142.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' HIS . . . -108.87 127.05 53.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 19' ' ' ILE . 27.3 mt -113.57 134.86 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -109.64 134.55 51.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.539 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.19 169.07 23.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASN . 82.3 mt -62.26 140.62 58.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.48 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -77.67 -44.76 27.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 m-20 -69.79 -29.0 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.768 HD11 HG23 ' A' ' 17' ' ' VAL . 19.6 mt -67.9 -30.03 69.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.35 -61.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -59.2 -29.75 67.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -78.7 -53.08 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -57.86 -30.96 66.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.11 96.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.036 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.36 -51.37 56.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 HG11 ' A' ' 21' ' ' VAL . 13.9 tp -55.58 -58.58 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.3 mt -47.28 -54.28 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.78 -27.42 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.88 -40.66 75.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.765 HG21 HG22 ' A' ' 23' ' ' VAL . 93.9 t -68.25 -45.32 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -77.83 -51.67 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.643 0.735 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.76 -177.92 2.1 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 71' ' ' LEU . 2.0 m -144.1 157.06 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.4 m -98.32 132.02 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 71' ' ' LEU . 35.1 pt -116.55 -175.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -133.62 131.34 39.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 78' ' ' LEU . 2.0 t -124.61 137.82 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.83 115.31 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 HG21 ' A' ' 82' ' ' VAL . 96.9 t -154.4 125.12 3.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.547 0.689 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 135.48 30.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 26.0 t80 -57.54 -20.49 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -19.46 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD12 HG13 ' A' ' 82' ' ' VAL . 46.1 mt -98.11 -29.92 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 22.1 m170 -41.65 -54.13 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -43.82 -35.91 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.04 -40.08 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -56.81 -47.73 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 50' ' ' ILE . 44.0 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.794 0.33 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -42.87 -46.71 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -44.47 -53.38 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.48 -34.88 79.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 39.5 mtm -65.49 -36.82 85.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.79 -30.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -74.36 -49.92 20.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 55.5 m-85 -90.51 -7.41 53.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 58.99 45.81 14.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.46 -174.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.1 120.68 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 85.9 mt -102.81 132.33 49.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -122.22 107.61 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.7 t -91.22 138.82 25.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.55 0.69 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.759 2.306 . . . . 0.0 112.301 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.42 168.31 2.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.048 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.77 -22.3 32.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.89 -34.06 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.31 -20.1 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 44.56 47.3 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -99.0 149.58 22.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -114.25 18.54 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -123.92 122.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.23 142.61 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.81 123.51 48.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.6 mt -112.5 126.36 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.3 m -102.12 136.04 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 158.63 170.26 23.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 77.4 mt -61.41 137.35 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.875 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -38.75 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -75.68 -45.52 36.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.4 m-20 -69.5 -32.61 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -64.23 -34.28 77.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.92 -58.2 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.418 ' NH2' ' O ' ' A' ' 46' ' ' PHE . 31.1 ptt180 -60.95 -41.68 96.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -65.97 -58.93 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -50.03 -35.63 25.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.01 81.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.65 -46.53 61.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 21' ' ' VAL . 19.6 tp -60.54 -61.31 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.54 -51.07 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.54 -31.3 72.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.7 tpt180 -68.23 -37.23 80.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.845 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -71.6 -38.46 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -69.54 -39.37 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.16 -48.82 15.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG13 ' HD2' ' A' ' 16' ' ' PRO . 60.3 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.607 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -171.35 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.89 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -146.42 150.73 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -90.72 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 71' ' ' LEU . 14.6 pt -121.52 178.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' HG21 ' A' ' 61' ' ' ILE . 25.2 mt-10 -126.77 124.08 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG11 HD23 ' A' ' 78' ' ' LEU . 12.0 t -116.29 140.48 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.04 106.96 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.963 HG22 HG21 ' A' ' 82' ' ' VAL . 91.0 t -147.05 126.33 6.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.83 136.52 33.01 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 16.5 t80 -55.23 -33.3 62.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.78 -21.66 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 82' ' ' VAL . 56.2 mt -94.92 -33.6 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 30.3 m170 -40.42 -46.79 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -50.97 -39.9 56.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' LEU . 35.9 m-85 -82.96 -40.26 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.98 -58.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.174 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.52 -59.13 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' MET . 6.8 pttm -39.11 -41.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 56.6 mtp -72.36 -50.42 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLU . 76.7 mtm -53.46 -45.86 69.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.66 76.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.7 -55.91 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 52.1 m-85 -89.65 -0.94 57.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' MET . 72.1 mt-10 57.56 34.87 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.37 177.74 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -128.26 115.13 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -100.21 129.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.2 130.89 56.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.1 t -108.23 138.61 20.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.72 136.54 33.36 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -48.32 163.48 0.3 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.68 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.6 Cg_endo -69.8 -29.22 24.03 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.35 -35.34 80.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.71 -18.24 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 38.42 47.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -95.74 159.59 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -119.82 19.8 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 ' OE1' ' A' ' 20' ' ' GLU . 8.1 mm -119.12 111.22 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.3 mt -88.32 143.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.83 120.97 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 21' ' ' VAL . 61.1 mt -114.25 128.35 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.1 m -104.69 139.23 39.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.14 170.36 24.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.412 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.4 mt -63.11 137.86 58.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -41.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -52.48 52.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.69 -48.28 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.89 HD11 HG23 ' A' ' 17' ' ' VAL . 32.3 mt -47.22 -39.69 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.63 -60.18 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 mtp85 -53.47 -55.9 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 21' ' ' VAL . 40.6 tttp -46.53 -42.71 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.5 88.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.69 88.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD23 HG11 ' A' ' 21' ' ' VAL . 14.0 tp -61.36 -55.85 26.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 mt -41.32 -51.58 3.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.27 -41.82 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.07 -37.71 80.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 23' ' ' VAL . 53.8 t -72.81 -39.75 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -68.53 -36.0 78.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.85 -40.97 23.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 16' ' ' PRO . 84.1 t . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.574 0.702 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.77 177.81 5.21 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.619 2.213 . . . . 0.0 112.394 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.899 HG23 HD11 ' A' ' 71' ' ' LEU . 3.5 m -140.82 159.34 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -104.92 132.52 51.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.35 -179.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -124.31 124.56 42.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.2 t -115.58 136.07 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -82.91 97.56 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.787 HG22 HG21 ' A' ' 82' ' ' VAL . 97.4 t -133.11 125.7 19.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.592 0.711 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.77 134.01 26.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.7 t80 -54.42 -30.9 53.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.44 -18.53 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 24' ' ' PRO . 69.3 mt -98.62 -33.07 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 18.6 m170 -39.63 -63.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -40.21 -34.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -84.6 -38.58 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' HIS . 97.0 t -64.87 -53.96 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.853 0.359 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -44.19 -44.43 7.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -47.89 -49.0 31.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.1 mtp -67.11 -61.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.4 mtm -45.95 -34.73 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.0 -33.76 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.96 -62.92 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 88.3 m-85 -75.92 -8.54 57.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 61.45 47.02 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.417 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -125.69 -175.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -131.75 116.21 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -104.91 129.95 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -117.94 126.53 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.4 t -107.24 139.01 20.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.746 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.68 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.4 Cg_endo -69.74 132.6 23.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.63 168.44 0.62 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.058 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.837 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.4 Cg_endo -69.89 -27.57 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.264 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -69.71 -36.1 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 93.0 mt -67.67 -23.34 65.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 49.07 50.73 17.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -114.4 153.81 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -118.8 22.83 11.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -115.56 117.21 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 53.7 mt -94.71 135.83 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.93 42.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.553 ' CD1' HG21 ' A' ' 21' ' ' VAL . 47.3 mt -113.3 123.34 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.2 m -99.93 142.13 31.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.586 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 157.47 172.37 24.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.52 141.4 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.883 0.373 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.56 -41.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.06 25.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -60.37 -52.79 63.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.899 HD11 HG23 ' A' ' 17' ' ' VAL . 30.5 mt -42.05 -43.87 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.92 -55.5 34.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 5.5 mtm180 -58.25 -55.47 34.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.85 -62.28 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HE2' HD11 ' A' ' 79' ' ' LEU . 81.0 tttt -44.26 -42.37 6.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.29 75.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.23 -52.38 52.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.41 -56.76 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.563 HD11 ' HE2' ' A' ' 75' ' ' LYS . 34.6 mt -43.27 -53.39 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -57.6 -41.41 81.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.787 HG21 HG22 ' A' ' 23' ' ' VAL . 96.8 t -66.97 -40.02 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.2 -41.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.38 -54.31 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.562 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.7 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.8 Cg_endo -69.82 -175.09 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 HD11 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -146.93 154.68 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -91.82 123.63 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.661 ' CG2' HD13 ' A' ' 71' ' ' LEU . 24.8 pt -111.96 169.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.74 126.21 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 64' ' ' ILE . 11.6 t -114.37 137.49 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.74 107.69 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 HG21 ' A' ' 82' ' ' VAL . 98.5 t -153.03 127.5 4.6 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.687 0.756 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.7 Cg_endo -69.79 137.34 35.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.406 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 22.8 t80 -58.31 -18.77 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.69 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' CD1' HG13 ' A' ' 82' ' ' VAL . 81.0 mt -102.6 -31.24 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CD2' HD11 ' A' ' 62' ' ' ILE . 55.9 m170 -40.65 -57.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -44.29 -37.27 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.27 -34.21 25.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 HD11 ' A' ' 39' ' ' ILE . 80.4 t -66.98 -57.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 31' ' ' VAL . 19.1 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -43.16 -43.23 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -43.95 -49.89 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLU . 23.3 mtp -67.16 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.9 mtm -39.87 -30.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.97 -34.12 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -70.06 -49.11 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 93.6 m-85 -93.21 -8.04 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 62.12 45.59 6.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 46' ' ' PHE . 2.3 m -126.24 -176.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -129.88 112.99 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 98.2 mt -95.1 134.06 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' ILE . 5.0 m-70 -121.61 129.75 53.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.3 t -109.5 138.0 20.46 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.186 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.3 Cg_endo -69.82 139.63 40.5 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -52.27 165.19 0.53 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.75 -31.1 21.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.54 -34.35 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.83 -21.67 57.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 37.89 52.0 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 148.2 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.22 20.19 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.2 mm -122.28 107.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 51' ' ' HIS . 57.8 mt -84.58 139.34 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.67 44.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.672 ' CD1' HG21 ' A' ' 21' ' ' VAL . 59.8 mt -116.77 129.7 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.4 m -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.64 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.64 178.56 35.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' ALA . 80.0 mt -70.89 136.1 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.96 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -73.95 -51.88 14.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -63.71 -44.05 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.784 HD11 HG23 ' A' ' 17' ' ' VAL . 20.2 mt -51.44 -39.24 57.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.18 -51.55 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 4.2 mtt-85 -63.58 -55.44 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -52.86 -40.06 63.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.84 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.67 -48.79 78.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 82' ' ' VAL . 12.2 tp -60.54 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -50.21 -49.51 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.35 -35.52 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -67.27 -32.87 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.851 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -74.19 -35.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -72.4 -34.44 67.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -27.45 27.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.2 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 121.651 0.739 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.79 178.73 4.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -143.81 153.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 m -94.76 147.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 71' ' ' LEU . 25.9 pt -130.35 -177.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -130.21 122.91 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.612 HG21 HD12 ' A' ' 64' ' ' ILE . 2.5 t -118.35 131.52 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.47 110.66 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 82' ' ' VAL . 99.8 t -146.87 123.91 5.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 132.5 23.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 21.0 t80 -53.65 -31.42 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.34 -19.51 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 82' ' ' VAL . 27.9 mt -97.38 -34.8 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 42.6 m170 -34.77 -58.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -42.74 -43.8 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' LEU . 25.9 m-85 -76.91 -40.51 47.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG12 ' CG1' ' A' ' 39' ' ' ILE . 66.8 t -59.66 -62.61 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 63.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.689 HG23 HD12 ' A' ' 50' ' ' ILE . 83.7 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 1.7 tmt_? -47.79 -45.76 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -48.54 -52.68 21.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . 46.1 mtp -62.01 -63.19 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.443 ' HE2' ' HA ' ' A' ' 40' ' ' ARG . 77.9 mtm -41.43 -47.24 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.27 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -75.38 -62.99 1.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 53.8 m-85 -79.81 4.58 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 48.12 50.42 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 46' ' ' PHE . 11.9 m -128.15 -179.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -125.27 122.57 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG23 ' A' ' 39' ' ' ILE . 90.4 mt -105.57 130.61 56.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.11 118.34 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 53' ' ' PRO . 48.6 t -101.34 137.63 19.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.86 134.63 28.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.74 166.25 1.08 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.0 Cg_endo -69.75 -27.33 26.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.16 -13.07 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 54' ' ' ALA . 23.7 mt -91.72 -22.82 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -109.9 151.43 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.57 20.07 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mm -117.76 116.36 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.4 mt -92.72 136.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.098 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.59 119.09 37.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.612 HD12 HG21 ' A' ' 21' ' ' VAL . 73.6 mt -111.45 124.09 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.7 m -101.64 138.42 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.33 168.61 22.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 mt -62.27 139.02 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.786 0.327 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.37 -39.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.83 -48.46 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 48.7 m-20 -65.67 -46.25 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.922 HD11 HG23 ' A' ' 17' ' ' VAL . 53.2 mt -49.18 -37.52 22.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.11 -65.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -50.65 -43.62 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -66.53 -58.34 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.0 tttt -52.35 -35.07 50.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.81 87.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.24 -44.7 64.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' ARG . 13.8 tp -61.58 -60.44 3.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.685 HD11 ' HE2' ' A' ' 75' ' ' LYS . 52.1 mt -38.58 -48.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -67.29 -39.44 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 6.0 tpt180 -60.29 -39.2 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 23' ' ' VAL . 92.1 t -71.35 -54.63 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -54.63 -39.13 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.79 -46.24 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 91.2 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.83 -176.94 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.743 2.296 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 71' ' ' LEU . 3.7 m -146.18 155.57 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 m -92.57 134.22 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' CG2' HD13 ' A' ' 71' ' ' LEU . 23.4 pt -119.03 169.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -121.19 123.65 42.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 78' ' ' LEU . 5.1 t -116.93 127.34 74.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.28 114.48 9.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG22 HG21 ' A' ' 82' ' ' VAL . 75.8 t -157.02 125.83 3.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.45 35.38 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 27.2 t80 -57.58 -21.75 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.67 -21.47 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.0 mt -101.02 -28.84 12.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 41.2 m170 -39.75 -57.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.5 ptp180 -46.55 -36.24 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -82.89 -27.16 30.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.55 -54.71 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.05 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.338 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -59.36 -50.39 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -41.68 -37.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.4 mtp -81.42 -41.66 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.01 -29.93 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -84.55 -27.04 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.8 -55.07 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 48' ' ' VAL . 52.2 m-85 -86.32 1.47 50.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 49.95 28.75 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 46' ' ' PHE . 28.5 m -106.06 -177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -130.68 119.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.8 mt -100.73 132.68 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 127.9 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -104.3 138.92 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.672 0.749 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.71 135.95 31.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.99 153.44 3.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.637 0.732 . . . . 0.0 111.065 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.84 31.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.13 -6.71 57.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.4 mt -99.2 -21.34 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 56.33 33.64 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 7.2 t -83.42 136.72 34.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.4 19.78 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.86 120.41 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -90.63 141.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.83 123.27 47.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 21' ' ' VAL . 59.1 mt -116.53 130.0 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.1 m -105.87 137.21 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 162.9 173.03 31.12 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 41.0 mt -66.71 140.3 57.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.26 -43.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.12 76.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -64.84 -49.81 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 HG23 ' A' ' 17' ' ' VAL . 21.4 mt -48.26 -35.08 11.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -44.53 75.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 8.5 mtp180 -69.37 -54.16 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -56.8 -57.32 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -48.36 -47.13 37.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.85 -39.11 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.93 -55.69 10.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 21' ' ' VAL . 19.4 tp -49.29 -55.51 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -47.08 -60.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.32 -33.4 58.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.98 -37.78 88.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.804 HG21 HG22 ' A' ' 23' ' ' VAL . 20.3 t -69.28 -41.06 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.96 -44.11 93.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.15 -34.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.638 0.732 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.8 -178.93 2.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 71' ' ' LEU . 4.8 m -142.08 150.08 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 m -90.64 134.17 34.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 pt -119.55 -175.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -132.02 133.62 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG21 ' CD1' ' A' ' 64' ' ' ILE . 2.0 t -125.87 138.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.64 112.2 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.766 HG22 HG21 ' A' ' 82' ' ' VAL . 91.7 t -151.6 131.35 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.34 23.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -57.79 -13.39 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.5 -12.22 60.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 82' ' ' VAL . 50.6 mt -103.58 -25.45 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -41.6 -60.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -47.0 -31.69 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -86.21 -25.07 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' CG1' ' A' ' 39' ' ' ILE . 49.7 t -78.13 -52.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.797 HG23 HD12 ' A' ' 50' ' ' ILE . 96.7 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.29 42.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -48.36 -43.18 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.503 ' HE2' HD11 ' A' ' 50' ' ' ILE . 41.6 mtp -71.89 -44.07 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.7 mtm -58.87 -24.04 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -34.1 12.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.5 -57.8 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 73' ' ' ARG . 94.0 m-85 -78.1 -2.32 36.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 52.0 52.64 14.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 30.2 m -139.37 176.01 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.99 126.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.797 HD12 HG23 ' A' ' 39' ' ' ILE . 84.2 mt -107.06 136.41 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -121.75 122.35 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.94 130.32 23.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.541 0.686 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.64 68.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -66.57 165.75 22.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.519 0.676 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.72 -30.21 22.82 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.74 2.293 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.99 -20.4 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.58 -14.92 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 38.88 44.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -92.13 143.27 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.97 16.56 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -120.1 107.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -83.05 148.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.32 124.68 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 21' ' ' VAL . 48.5 mt -115.85 128.93 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.7 m -106.46 139.58 40.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.606 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.28 176.98 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.8 mt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -38.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.53 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -73.86 -41.12 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.6 mt -55.74 -32.45 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.79 -61.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 13.1 ptt180 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -50.05 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -61.23 -42.71 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.62 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.65 -50.48 11.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.71 -52.49 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.0 mt -46.0 -54.87 7.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.91 -33.86 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 85' ' ' LEU . 5.6 tpt180 -69.72 -33.95 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.766 HG21 HG22 ' A' ' 23' ' ' VAL . 53.0 t -69.81 -54.2 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -54.53 -45.58 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.86 -51.72 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 81' ' ' ARG . 11.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 16' ' ' PRO . 97.9 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.618 0.723 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.81 177.79 5.26 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 71' ' ' LEU . 1.3 m -147.49 165.3 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -105.47 138.9 40.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 21.7 pt -118.56 -178.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -132.83 128.76 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -118.45 135.34 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -81.61 101.2 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.016 HG22 HG21 ' A' ' 82' ' ' VAL . 93.9 t -140.97 133.1 14.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.76 139.94 41.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 6.7 t80 -59.81 -28.3 67.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.4 p30 -61.95 -30.01 70.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 82' ' ' VAL . 30.6 mt -86.35 -24.55 25.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.1 m170 -48.41 -49.74 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 8.7 ptp180 -56.3 -25.55 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 12.5 m-85 -91.41 -31.17 16.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.94 -52.02 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mt . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.853 0.359 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.35 -51.35 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.0 mtm -64.26 -59.29 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.6 mtm -40.82 -29.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.85 -32.09 17.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.617 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -72.69 -48.76 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 76.3 m-85 -89.28 -15.08 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 65.82 42.26 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 16.1 m -122.72 -175.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -125.64 123.03 38.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -112.43 130.71 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' O ' HG23 ' A' ' 62' ' ' ILE . 4.6 m-70 -123.64 129.05 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.0 t -107.26 138.78 19.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.74 133.28 25.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.04 168.45 2.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.8 Cg_endo -69.79 -26.92 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.99 -15.34 62.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 mt -94.78 -26.99 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 50.32 53.91 12.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -111.46 140.44 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.36 19.18 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.56 115.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' HIS . 58.9 mt -92.51 137.08 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.6 131.02 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 52.4 mt -123.69 125.18 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -99.74 140.91 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 156.11 171.08 22.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.19 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.883 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.71 -35.46 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.81 -47.96 64.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 27.6 m-20 -67.3 -41.25 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.0 mt -54.18 -36.59 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.18 -61.52 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.5 -46.76 73.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.31 3.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.719 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.4 tttt -48.15 -33.81 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.65 91.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.52 -37.35 78.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.654 HD23 HG11 ' A' ' 21' ' ' VAL . 12.5 tp -70.06 -52.47 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 75' ' ' LYS . 63.9 mt -50.11 -48.56 53.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -75.11 -36.24 61.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.016 HG21 HG22 ' A' ' 23' ' ' VAL . 53.1 t -72.72 -34.23 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -77.03 -34.97 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -80.62 -41.31 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -140.78 131.42 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -165.81 164.24 18.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.18 153.19 11.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -169.7 124.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -165.7 138.85 4.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.09 66.69 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -87.22 144.8 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -158.48 130.18 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.03 96.73 4.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.545 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.5 tt -149.09 129.48 13.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -131.08 119.62 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 172.88 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -111.77 -46.59 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.7 t -78.3 138.73 59.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.674 0.749 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.348 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.827 HG23 HD11 ' A' ' 71' ' ' LEU . 3.0 m -147.06 150.37 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -94.41 137.6 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD13 ' HB3' ' A' ' 71' ' ' LEU . 41.0 pt -120.81 -176.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -130.62 129.0 42.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 64' ' ' ILE . 10.1 t -122.28 132.73 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.14 117.49 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 HG21 ' A' ' 82' ' ' VAL . 85.4 t -154.39 134.33 7.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.578 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 130.08 18.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.5 -18.9 21.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.85 -16.41 63.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 92.0 mt -100.03 -30.9 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.0 m170 -38.93 -64.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -39.85 -35.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -81.32 -34.57 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' HIS . 61.3 t -69.49 -50.74 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.22 -57.31 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.54 175.22 23.21 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 17.6 pt20 -41.97 -46.23 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 12.4 tptt -124.92 -46.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.1 39.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 40' ' ' ARG . 16.8 p -88.57 -55.97 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.11 -46.37 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.16 -35.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 37' ' ' SER . 5.1 tpt180 -50.88 -34.52 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.76 -35.65 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtp -75.42 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 58.8 mtm -45.06 -29.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -62.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -73.41 -6.2 44.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 54.55 53.67 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.2 m -136.4 -178.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -125.9 117.96 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.61 130.92 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -123.68 125.78 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.2 t -102.52 138.76 19.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -57.66 163.52 3.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.73 -31.22 21.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.75 -10.75 59.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.98 -30.43 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 57.46 35.88 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -94.98 140.98 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.58 15.08 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.3 mt -83.11 138.44 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.48 128.31 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 21' ' ' VAL . 21.4 mt -121.42 120.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.2 m -99.38 140.18 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 155.51 175.31 26.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' ASN . 90.8 mt -65.31 135.46 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.87 -34.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.043 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -44.57 75.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -72.69 -37.52 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.3 mt -58.71 -34.23 71.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -58.4 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 1.7 ptp180 -57.21 -43.92 83.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.89 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -50.35 -36.31 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.09 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.07 -44.44 60.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.52 -58.73 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.07 -49.52 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.9 -36.94 81.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 tpt85 -64.76 -35.46 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 27' ' ' LEU . 58.4 t -71.44 -44.6 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -65.55 -35.76 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -78.87 -32.62 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.04 -54.82 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.427 ' HA ' ' CG ' ' A' ' 89' ' ' GLN . 20.5 pt20 -58.4 -42.18 86.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.15 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -87.61 -68.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 4.5 pt20 -47.57 -29.08 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 86' ' ' GLN . 17.6 tp10 -87.09 -40.27 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -56.36 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -54.97 -28.56 52.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.7 -32.29 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.79 -58.18 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -66.61 75.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -91.79 73.55 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.532 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 30.4 p90 -45.95 99.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 23.8 mtpt -164.34 173.03 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.9 p -60.79 160.68 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 108.9 161.16 19.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.85 11.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -136.46 127.79 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.8 m -69.14 163.42 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -69.8 78.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -114.43 125.34 53.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.31 80.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -82.61 127.97 33.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -112.73 167.52 10.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.88 107.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -157.23 146.69 20.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.665 0.269 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -150.13 147.56 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.43 100.44 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -171.7 -176.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 6.5 pt-20 -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.08 143.23 49.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 15' ' ' VAL . 3.6 pp -76.6 -39.47 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 16' ' ' PRO . 11.1 p -87.69 137.24 32.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.8 177.8 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 71' ' ' LEU . 2.6 m -141.59 159.97 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -101.31 134.84 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 pt -123.38 175.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -121.27 136.43 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.563 HG11 HD23 ' A' ' 78' ' ' LEU . 20.2 t -129.68 116.32 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -68.01 112.83 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 24' ' ' PRO . 98.0 t -148.46 138.45 12.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.4 Cg_endo -69.67 126.63 13.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 9.4 t80 -53.37 -36.01 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.76 -20.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.691 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.7 mt -96.61 -34.44 11.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 29.8 m170 -37.53 -58.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -45.65 -39.35 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' LEU . 16.8 m-85 -77.73 -41.52 37.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.16 -53.52 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.4 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.03 145.65 18.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -44.46 -49.82 9.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -87.09 -59.97 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.01 55.15 0.17 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' GLY . 2.3 m -96.68 -62.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -34.6 -66.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 mt -54.34 -47.05 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.162 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -50.28 -53.11 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -46.99 -46.16 21.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.0 mtp -66.43 -62.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 70.8 mtm -43.99 -47.74 8.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -36.59 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -67.68 -57.71 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.719 ' O ' HG13 ' A' ' 48' ' ' VAL . 48.6 m-85 -90.11 11.63 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' MET . 4.8 mm-40 41.97 36.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 46' ' ' PHE . 34.6 m -106.75 -176.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -131.93 116.84 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.36 130.67 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -123.32 125.58 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 53' ' ' PRO . 92.9 t -107.49 138.65 20.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.1 Cg_endo -69.72 132.49 23.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -54.99 166.58 0.77 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.8 Cg_endo -69.78 -19.04 36.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 0.0 112.335 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.04 -29.46 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.32 -24.27 59.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 50.85 52.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 144.19 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.76 11.77 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 mm -102.84 109.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -88.36 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.62 128.76 52.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 HG21 ' A' ' 21' ' ' VAL . 69.2 mt -120.42 119.24 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -96.3 136.23 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.406 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 163.03 172.91 31.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 85.9 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.44 -41.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -53.48 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.3 m-20 -59.32 -46.19 89.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.895 HD11 HG23 ' A' ' 17' ' ' VAL . 40.1 mt -48.56 -43.03 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -55.85 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.76 -57.02 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -59.99 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -44.64 -44.68 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.86 84.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 HG11 ' A' ' 21' ' ' VAL . 17.5 tp -69.0 -60.05 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -45.25 -46.39 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.43 -40.19 89.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -57.82 -38.41 75.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.691 HG13 ' CD1' ' A' ' 27' ' ' LEU . 95.4 t -69.09 -56.16 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -51.23 -34.42 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -41.29 20.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.06 -55.9 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 20.8 pt20 -53.4 -44.39 68.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -53.39 -22.84 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -90.27 -70.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -50.07 -18.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 93' ' ' ALA . 8.6 tt0 -89.56 -43.18 10.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -42.53 -52.6 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -57.7 -29.73 64.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -78.64 -44.78 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 tp -49.26 -55.44 12.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.86 139.28 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 m -129.2 114.43 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.19 179.28 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.21 -52.27 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 t -135.14 151.54 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.46 83.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -45.88 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -144.4 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 t -100.21 113.23 25.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -167.56 158.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -173.12 170.83 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.68 105.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -115.24 138.61 50.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -143.48 165.47 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.31 61.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -54.68 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -137.08 146.11 44.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.5 107.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -150.14 142.71 24.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -117.82 110.96 18.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.93 121.93 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 15' ' ' VAL . 4.0 pp -88.0 -39.97 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.8 p -96.04 137.47 21.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 111.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.6 Cg_endo -69.73 179.49 3.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 HD11 ' A' ' 71' ' ' LEU . 4.2 m -145.57 156.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 m -101.29 128.74 47.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -111.69 -175.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -139.08 130.3 26.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.61 149.48 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.11 108.12 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.799 HG22 HG21 ' A' ' 82' ' ' VAL . 97.6 t -147.49 132.58 9.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.81 135.04 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.15 -19.29 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.5 -11.75 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.726 ' CD1' HG13 ' A' ' 82' ' ' VAL . 91.8 mt -105.19 -30.19 9.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -40.88 -51.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -49.03 -37.75 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -82.3 -38.95 23.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.77 -56.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.76 -59.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.17 158.72 25.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -50.35 -49.58 53.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -93.94 -47.61 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.45 33.45 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' GLY . 90.0 p -86.26 -46.43 10.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -34.47 -69.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ARG . 62.1 mt -59.66 -49.44 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' ILE . 1.4 tpm_? -35.3 -48.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -51.56 -50.38 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.2 mtm -62.81 -52.9 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.8 mtm -51.18 -41.74 60.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.16 -46.43 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.58 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 46.7 m-85 -76.9 -0.75 25.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 50.01 47.25 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.3 m -125.81 179.01 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -126.39 115.58 19.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG12 HG23 ' A' ' 64' ' ' ILE . 62.3 mt -102.77 129.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' ILE . 25.4 m-70 -114.39 130.75 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.9 t -109.96 138.69 20.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.8 141.55 45.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.709 2.272 . . . . 0.0 112.316 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -65.97 161.63 53.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.1 Cg_endo -69.75 -18.52 36.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -22.91 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.9 mt -87.08 -21.6 25.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.3 50.7 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -106.19 138.3 42.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.27 19.78 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -119.89 117.22 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' HIS . 62.5 mt -92.76 139.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.55 127.46 53.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 50' ' ' ILE . 16.1 mt -115.91 131.09 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -107.61 137.64 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.31 176.19 32.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.7 mt -67.24 136.69 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -36.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.02 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 7.9 m-20 -62.55 -44.56 96.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 18.9 mt -50.61 -37.77 42.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.47 -43.86 96.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.6 mtp85 -70.6 -53.74 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -54.46 -57.41 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -48.28 -41.56 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.45 78.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.04 -37.52 82.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.81 -51.8 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.11 -26.75 66.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -72.88 -33.85 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.799 HG21 HG22 ' A' ' 23' ' ' VAL . 90.7 t -72.76 -42.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -65.51 -37.48 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.33 -49.56 11.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -50.68 -48.96 58.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -66.52 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -13.4 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -89.59 -61.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.99 -17.84 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 91' ' ' ASP . 6.6 pt-20 -87.35 -39.84 14.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' GLU . 13.7 t70 -35.3 -57.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -63.54 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.63 -57.82 10.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 95' ' ' ARG . 5.7 mt -51.01 -47.98 61.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 94' ' ' LEU . 36.8 ttm180 -36.34 138.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' PHE . 37.1 p -66.04 85.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 m-85 -36.68 141.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.76 108.43 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -77.84 128.97 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.12 164.5 13.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.43 2.32 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.28 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p 38.64 41.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.5 p -145.46 111.45 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -141.88 108.91 5.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -152.3 128.44 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.0 127.57 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -89.19 154.07 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 p -138.02 175.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.02 178.11 27.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -80.14 -178.88 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -161.81 135.64 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.34 109.91 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -156.47 140.2 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -129.42 120.87 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.55 125.42 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 15' ' ' VAL . 4.3 pp -46.41 -40.33 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.587 ' N ' HD12 ' A' ' 14' ' ' LEU . 10.3 p -87.28 137.36 32.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.73 179.26 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.021 HG23 HD11 ' A' ' 71' ' ' LEU . 1.7 m -145.26 152.76 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.5 m -97.81 139.62 33.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -121.93 -177.71 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -129.14 126.32 39.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.6 t -118.82 125.41 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.52 110.14 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 82' ' ' VAL . 55.2 t -150.3 130.86 7.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.74 133.39 25.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 22.7 t80 -57.59 -18.69 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.72 -12.93 61.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' HG2' ' A' ' 24' ' ' PRO . 85.0 mt -104.46 -28.29 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 47.5 m170 -42.77 -61.76 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -44.08 -32.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.29 -32.4 26.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.9 t -74.95 -59.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -47.01 -55.63 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 170.66 17.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.65 131.78 49.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.358 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER 47.37 44.07 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 38.31 50.75 2.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -92.12 -31.26 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -33.14 85.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.456 HG22 ' HG3' ' A' ' 43' ' ' MET . 67.5 mt -89.8 -38.27 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -46.43 -26.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -45.48 78.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 82.8 mtp -68.67 -55.78 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.456 ' HG3' HG22 ' A' ' 39' ' ' ILE . 44.5 mtm -47.56 -28.03 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.95 -42.69 12.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.49 -57.59 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.673 ' O ' HG13 ' A' ' 48' ' ' VAL . 74.9 m-85 -83.04 3.9 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 47.22 42.82 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 46' ' ' PHE . 35.6 m -122.81 -179.51 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.39 115.58 19.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -99.33 133.43 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 62' ' ' ILE . 12.3 m170 -120.3 131.19 54.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -108.9 138.8 20.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.78 137.39 35.31 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -58.58 157.09 20.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.1 Cg_endo -69.89 -11.86 31.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.47 -8.36 53.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -97.2 -26.61 14.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 58.59 37.11 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 4.9 t -90.97 138.73 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.39 21.3 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -123.7 116.95 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 51' ' ' HIS . 59.1 mt -90.01 137.19 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.35 126.6 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.663 ' CD1' HG21 ' A' ' 21' ' ' VAL . 50.0 mt -119.47 128.22 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.8 m -104.77 142.54 34.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.561 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.4 169.48 21.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ASN . 59.8 mt -62.87 138.35 58.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.63 -36.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.94 57.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.8 m-20 -65.44 -45.11 85.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.021 HD11 HG23 ' A' ' 17' ' ' VAL . 23.9 mt -50.25 -35.77 28.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.96 -51.61 60.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 9.6 mtt180 -60.66 -57.64 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -61.36 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE2' HD11 ' A' ' 79' ' ' LEU . 43.7 tttt -46.37 -42.77 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.89 -44.67 29.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 21' ' ' VAL . 11.0 tp -63.58 -52.52 60.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HE2' ' A' ' 75' ' ' LYS . 77.0 mt -45.71 -49.97 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.69 -40.8 96.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.19 -36.17 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 23' ' ' VAL . 68.9 t -70.17 -50.06 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -56.08 -33.91 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.49 -51.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.45 -37.03 46.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -80.69 -22.98 39.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.59 -21.51 30.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 15.7 pt-20 -90.74 -40.59 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 1.1 pp0? -71.87 -16.15 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -90.92 -36.42 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -58.76 -44.84 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 8.5 ptm180 -79.09 -40.39 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.43 96.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ARG . 4.5 tp -37.86 -38.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' LEU . 31.1 mtp180 -35.01 -58.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.5 p -96.73 111.91 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -117.2 134.44 54.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -118.92 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.6 m -40.42 -49.79 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.69 146.29 18.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 156.19 64.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.415 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.8 t -103.49 -54.94 2.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -88.61 137.39 32.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -155.73 120.05 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -93.63 154.91 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.68 142.57 12.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -156.16 128.89 7.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -44.14 -56.67 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.49 150.28 10.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -83.76 119.12 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.729 0.299 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -151.17 137.89 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.36 119.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 12' ' ' GLU . 16.4 tp -169.92 159.15 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' H ' HD12 ' A' ' 11' ' ' LEU . 9.6 pt-20 -155.18 136.17 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.47 123.56 9.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.545 ' O ' HD21 ' A' ' 67' ' ' LEU . 68.9 mt -88.04 -62.29 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p -67.95 136.8 92.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.87 179.66 3.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.945 HG23 HD11 ' A' ' 71' ' ' LEU . 3.3 m -146.0 152.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -94.54 139.37 31.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 71' ' ' LEU . 21.8 pt -122.13 178.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.48 132.61 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.99 142.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -86.61 107.05 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.048 HG22 HG21 ' A' ' 82' ' ' VAL . 53.3 t -146.55 129.89 8.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.1 Cg_endo -69.75 136.58 33.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.4 t80 -60.4 -12.88 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.69 -11.32 60.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 24' ' ' PRO . 84.5 mt -109.29 -23.98 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 27.9 m170 -41.84 -59.45 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -46.43 -30.55 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -86.35 -31.4 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 39' ' ' ILE . 71.2 t -71.5 -50.84 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.79 -65.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.58 18.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.51 -47.6 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -123.92 41.56 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.22 34.09 39.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -91.56 -35.6 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.788 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.24 -48.24 53.95 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.414 HD11 HG12 ' A' ' 31' ' ' VAL . 46.7 mt -76.92 -48.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HA ' ' CE ' ' A' ' 43' ' ' MET . 60.1 mtt180 -41.53 -42.01 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.6 -53.18 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 mtm -65.63 -47.36 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 40' ' ' ARG . 60.8 mtm -53.06 -25.2 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.14 -28.71 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -78.73 -55.72 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.05 -7.68 59.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 62.1 27.57 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -107.38 -175.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -132.77 112.91 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.8 mt -97.55 130.11 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -120.03 129.52 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.8 t -110.38 138.85 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.74 135.11 29.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.63 1.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.77 -23.33 30.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.29 -21.17 50.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD12 ' H ' ' A' ' 54' ' ' ALA . 69.9 mt -80.27 -25.82 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 51.26 48.6 22.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -108.44 146.2 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.24 20.63 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mm -120.38 116.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.06 141.42 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.2 127.65 53.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mt -119.22 129.59 75.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.0 m -104.57 138.32 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 174.51 30.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 14' ' ' LEU . 74.6 mt -69.05 138.22 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.727 0.299 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.21 -42.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.21 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.2 m-20 -69.33 -48.4 61.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.945 HD11 HG23 ' A' ' 17' ' ' VAL . 14.0 mt -47.8 -42.25 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -50.27 74.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -65.54 -55.59 16.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.8 -59.19 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HD2' HD12 ' A' ' 19' ' ' ILE . 86.2 tttt -45.18 -44.66 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.07 -36.14 70.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.43 -49.01 67.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.7 -52.21 65.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.29 -53.66 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.58 -35.15 80.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.79 -31.73 73.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.048 HG21 HG22 ' A' ' 23' ' ' VAL . 44.7 t -73.61 -47.58 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -61.25 -30.5 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -86.05 -44.69 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.35 -51.34 67.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.58 -35.68 72.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -90.39 -58.44 2.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -50.07 -27.37 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -88.62 -39.9 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -42.54 -52.13 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -50.09 -34.36 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.35 -39.02 21.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.5 -54.74 37.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 62.59 39.66 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.788 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 t -119.45 98.82 6.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -52.79 120.05 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -141.96 158.14 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.9 t -109.72 136.16 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.57 84.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 114.84 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -66.13 177.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -108.84 174.71 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -126.72 112.24 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -91.14 103.7 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.59 87.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -132.61 105.11 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -84.5 152.18 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -59.66 161.79 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.92 152.12 6.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.49 114.21 3.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -146.29 139.41 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -129.87 119.44 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.8 137.76 20.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -46.39 -40.11 11.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG23 ' HD2' ' A' ' 16' ' ' PRO . 4.7 p -85.07 138.7 36.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -145.96 162.73 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 m -102.09 139.88 37.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 71' ' ' LEU . 32.5 pt -121.59 -178.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -128.54 130.05 46.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -125.42 124.21 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -68.26 113.67 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.819 HG22 HG21 ' A' ' 82' ' ' VAL . 52.0 t -151.24 129.77 6.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.736 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.14 -24.5 54.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.18 -9.38 22.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.711 ' CD1' HG13 ' A' ' 82' ' ' VAL . 44.1 mt -104.87 -31.75 9.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CE1' HG13 ' A' ' 52' ' ' VAL . 39.7 m170 -39.63 -63.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -39.42 -38.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.93 -42.84 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -59.09 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.89 -49.61 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 82.71 162.72 32.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 47.7 tt0 -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.901 0.381 . . . . 0.0 110.96 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.31 177.21 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.16 38.3 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -94.25 -52.79 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.15 -64.74 1.23 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 50' ' ' ILE . 77.6 mt -59.17 -39.8 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 10.4 tpt180 -37.88 -57.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ARG . 28.8 tttt -35.39 -48.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 84.3 mtp -68.06 -55.28 13.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.1 mtm -48.21 -33.63 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -82.67 -48.69 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.47 -59.57 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 48' ' ' VAL . 68.5 m-85 -81.48 9.34 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 41.26 46.5 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 46' ' ' PHE . 15.0 m -127.45 -179.99 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -129.79 114.72 16.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 39' ' ' ILE . 70.5 mt -94.2 131.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.0 126.26 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.8 t -107.82 138.82 20.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.8 142.06 46.76 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.93 160.02 41.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.74 -13.15 34.32 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -82.21 -14.45 55.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -96.62 -19.62 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.48 49.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -104.22 148.33 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.65 22.02 13.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mm -119.81 116.65 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -91.94 141.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.26 123.79 48.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.37 130.77 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 m -102.59 143.88 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 154.38 170.72 20.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.428 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 16' ' ' PRO . 92.4 mt -66.41 141.72 57.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.31 -40.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -53.45 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -61.12 -46.94 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 17' ' ' VAL . 62.7 mt -48.16 -41.71 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.0 -53.62 51.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -58.41 -57.18 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -55.7 -53.11 60.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 79' ' ' LEU . 18.1 tttm -54.28 -49.03 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.43 -20.26 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.04 -43.66 7.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.06 -50.03 63.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 75' ' ' LYS . 74.2 mt -45.79 -44.89 14.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.77 -37.89 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -62.6 -37.16 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.819 HG21 HG22 ' A' ' 23' ' ' VAL . 99.4 t -71.47 -50.97 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -55.04 -38.89 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -49.02 20.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD23 ' OE2' ' A' ' 88' ' ' GLU . 24.1 mt -53.96 -52.13 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 18.9 pt20 -55.7 -18.4 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.3 -42.22 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' OE2' HD23 ' A' ' 85' ' ' LEU . 9.0 pt-20 -73.51 -47.36 41.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 5.7 pt20 -65.46 -20.15 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 8.6 mm-40 -93.91 -46.48 7.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' GLU . 17.4 t70 -34.55 -62.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -40.57 10.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -72.89 -34.6 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 tp -47.39 -47.27 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 41.03 49.66 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.7 p -168.32 124.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -45.9 155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 99' ' ' SER . 0.1 OUTLIER -157.22 142.95 17.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 14.5 m -82.72 54.54 2.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.45 -79.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.95 13.03 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -140.89 124.13 16.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.4 m -94.31 142.53 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.508 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -173.1 125.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -69.17 130.55 42.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.05 130.91 5.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -93.14 147.97 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -95.82 167.08 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.29 92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.01 167.83 5.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -137.39 172.77 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.56 108.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD12 ' H ' ' A' ' 12' ' ' GLU . 15.4 tp -150.48 142.72 24.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' H ' HD12 ' A' ' 11' ' ' LEU . 8.7 pt-20 -129.39 116.22 18.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.08 141.68 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.1 mt -74.22 -44.71 52.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p -79.49 136.95 55.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.754 . . . . 0.0 111.051 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.82 179.38 3.77 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.896 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -147.97 155.73 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 m -95.89 146.07 24.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 71' ' ' LEU . 25.6 pt -129.64 -175.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.64 130.94 38.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 64' ' ' ILE . 5.5 t -125.0 121.6 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.7 112.87 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.869 HG22 HG21 ' A' ' 82' ' ' VAL . 73.0 t -150.71 129.97 6.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.77 134.47 28.06 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.726 2.284 . . . . 0.0 112.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.5 t80 -57.05 -24.75 56.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.92 -13.51 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.807 ' CD1' HG13 ' A' ' 82' ' ' VAL . 70.2 mt -102.39 -32.1 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CE1' HG13 ' A' ' 52' ' ' VAL . 51.9 m170 -40.08 -60.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -42.28 -36.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -81.92 -38.73 24.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.56 -60.14 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 41.8 mt -59.36 -46.21 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.48 -144.39 25.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLY . 13.5 mp0 -49.98 179.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' GLY . 29.4 mttp -46.69 89.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' GLN . . . 34.64 43.51 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 p -98.92 -39.91 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.45 -38.6 86.99 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 94.0 mt -77.67 -38.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ILE . 9.7 tpt180 -38.18 -45.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -38.72 -54.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.9 mtp -64.29 -60.88 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.9 mtm -43.83 -29.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -88.65 -37.26 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.03 -60.62 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -79.83 11.35 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 36.83 53.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -132.02 177.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -123.72 118.23 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.35 137.43 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -131.01 123.3 28.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 53' ' ' PRO . 55.5 t -105.86 137.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.66 135.69 31.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.05 161.52 2.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.705 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.69 -18.34 37.38 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.45 -21.61 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -85.53 -26.63 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 58.02 38.81 26.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 138.38 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.17 22.93 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.2 mm -120.28 122.73 69.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.9 mt -98.78 138.82 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.86 127.4 47.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.59 ' CD1' HG21 ' A' ' 21' ' ' VAL . 8.7 mt -120.13 129.03 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -106.46 141.14 38.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 159.16 176.5 31.28 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ASN . 71.9 mt -67.61 136.15 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.88 -43.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.3 94.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 67' ' ' LEU . 28.3 m-20 -68.47 -49.37 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.896 HD11 HG23 ' A' ' 17' ' ' VAL . 18.5 mt -45.94 -38.34 7.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -56.69 12.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -58.01 -55.68 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -61.88 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -44.47 -39.23 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.38 94.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.52 -38.72 93.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HG11 ' A' ' 21' ' ' VAL . 19.0 tp -70.06 -52.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -43.01 34.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.94 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -64.15 -36.7 84.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.869 HG21 HG22 ' A' ' 23' ' ' VAL . 84.9 t -74.21 -40.83 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.84 -26.75 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -93.2 -32.5 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 mt -70.0 -54.68 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -58.75 -29.55 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.61 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.78 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -47.3 -31.78 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 93' ' ' ALA . 4.0 tt0 -85.17 -44.42 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -36.45 -51.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.57 -43.41 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -60.22 -47.66 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 94' ' ' LEU . 3.0 tt -57.18 -31.24 65.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 58.39 34.17 23.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.527 ' HB3' HD22 ' A' ' 94' ' ' LEU . 78.8 p -60.97 133.46 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -94.8 142.92 26.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -149.6 138.09 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.8 p -53.3 96.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.59 167.54 28.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -11.81 31.56 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -68.2 128.59 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.0 m -127.42 149.38 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 40.1 42.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -122.25 155.29 36.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 131.65 4.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -98.61 137.11 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -149.04 -179.8 7.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.95 89.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 125.23 13.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 150.36 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.45 95.19 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.6 tt -147.78 127.84 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -136.82 115.87 12.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.38 142.34 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -113.46 -39.58 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p -96.97 137.38 21.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.84 178.59 4.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -140.82 160.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -96.35 136.81 36.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 64' ' ' ILE . 12.6 pt -117.96 -175.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.49 125.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 78' ' ' LEU . 2.6 t -120.53 133.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.49 115.59 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.954 HG22 HG21 ' A' ' 82' ' ' VAL . 50.7 t -154.36 129.48 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.83 136.05 31.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 20.0 t80 -58.16 -20.89 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -66.65 -11.89 55.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 82' ' ' VAL . 84.1 mt -105.44 -29.7 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 m170 -42.63 -60.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -43.93 -31.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.58 -37.01 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 39' ' ' ILE . 79.5 t -67.66 -62.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 61.0 mt -50.53 -59.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.65 178.65 46.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.62 151.95 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 42.54 31.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.5 2.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -97.8 -51.3 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -40.14 -62.81 1.44 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 50' ' ' ILE . 92.5 mt -60.87 -40.76 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.78 -51.41 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 42' ' ' MET . 7.0 tmtt? -43.19 -44.06 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.479 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 62.6 mtp -71.59 -56.24 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 mtm -45.8 -30.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.97 -41.5 14.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.75 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' HB2' HG22 ' A' ' 48' ' ' VAL . 80.0 m-85 -75.69 -5.19 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 54.32 49.73 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 70' ' ' ASN . 6.5 m -132.88 176.89 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -122.47 113.13 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 39' ' ' ILE . 67.3 mt -95.17 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -125.42 127.28 46.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 53' ' ' PRO . 96.6 t -110.2 138.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.74 138.21 37.34 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.22 164.43 6.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.625 0.726 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.9 Cg_endo -69.74 -27.15 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.21 -10.8 60.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.74 -24.78 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 51.68 49.78 20.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -105.01 148.47 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -115.15 19.34 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -119.03 119.9 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.3 mt -95.81 143.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -108.78 129.71 55.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 19' ' ' ILE . 34.0 mt -120.33 121.16 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.3 m -96.15 139.81 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 156.12 173.99 25.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' ASN . 96.9 mt -66.42 138.06 57.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -34.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -71.15 -47.65 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB3' HG13 ' A' ' 48' ' ' VAL . 1.6 m-20 -66.15 -37.89 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -60.72 -35.3 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.67 -56.49 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -57.48 -42.57 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.97 -57.47 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' A' ' 79' ' ' LEU . 35.9 tttp -50.16 -35.72 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.88 64.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 21' ' ' VAL . 15.2 tp -63.17 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.53 HD11 ' HE3' ' A' ' 75' ' ' LYS . 79.3 mt -39.06 -47.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.55 -38.63 77.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 3.6 tpt180 -59.86 -33.58 71.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.954 HG21 HG22 ' A' ' 23' ' ' VAL . 49.6 t -72.94 -45.77 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -59.53 -34.07 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -84.52 -43.03 14.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.36 -54.7 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -53.68 -30.95 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.64 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -88.8 -61.81 1.62 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -53.75 -26.27 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -82.89 -41.55 18.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -40.22 -43.98 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -58.26 -61.68 2.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.13 -50.8 47.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.4 tp -39.03 -54.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -78.95 108.71 12.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t -50.81 137.46 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -153.62 142.75 21.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -136.21 134.92 38.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -138.62 175.18 9.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.782 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.77 62.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.543 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 154.26 68.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.2 p -127.47 145.05 50.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.5 t -81.51 90.24 6.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -161.01 111.14 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.824 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -137.26 137.65 39.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.05 144.67 5.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -109.82 173.06 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -89.79 -52.12 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.59 -151.85 19.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -154.07 136.36 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -170.63 136.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.45 115.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -144.71 131.96 20.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.35 119.27 28.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.54 124.47 15.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.718 ' H ' HD12 ' A' ' 14' ' ' LEU . 2.4 mp -65.57 -39.81 92.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.3 p -74.71 137.57 73.75 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.82 177.33 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.761 HG23 HD11 ' A' ' 71' ' ' LEU . 5.3 m -147.58 149.64 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -93.71 134.54 35.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.7 -179.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -131.43 129.11 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 78' ' ' LEU . 2.5 t -119.78 136.49 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.12 106.26 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.905 HG22 HG21 ' A' ' 82' ' ' VAL . 94.5 t -143.95 127.6 9.02 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 132.9 24.17 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 18.4 t80 -55.27 -29.22 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.41 -18.16 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.18 -30.84 11.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 26.0 m170 -40.91 -58.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -41.33 -38.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 16.8 m-85 -81.85 -40.83 21.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.86 -56.58 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -56.87 -53.57 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.31 -167.79 27.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -70.39 135.07 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.389 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mttp 38.4 50.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 40' ' ' ARG . . . 37.68 45.6 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.6 m -72.07 -62.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.04 -43.12 8.51 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.434 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.7 -48.68 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.201 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 39.0 mtp180 -43.45 -36.65 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -55.25 -42.92 74.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' GLU . 43.5 mtp -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.3 mtm -45.06 -30.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.24 -29.63 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' MET . 5.1 tp10 -81.69 -62.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 86.4 m-85 -76.95 -0.45 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 52.84 48.84 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -130.3 177.42 6.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -123.24 125.64 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.6 mt -112.11 130.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -120.2 123.83 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 86.4 t -104.01 138.64 19.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.3 Cg_endo -69.7 132.46 23.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.78 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.46 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.739 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.78 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.4 Cg_endo -69.74 -30.87 21.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -66.58 -22.98 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.94 -21.37 26.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 47.05 51.16 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -104.62 150.24 24.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.51 20.04 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -118.7 117.73 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.7 mt -92.92 138.45 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.1 128.69 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.08 122.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -99.15 143.09 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 155.81 177.13 28.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 14' ' ' LEU . 66.2 mt -68.56 136.31 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.8 -41.32 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.75 80.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.5 m-20 -66.66 -45.42 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.4 mt -50.82 -40.61 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -50.33 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.1 mtm180 -64.66 -55.51 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.1 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HE2' HD11 ' A' ' 79' ' ' LEU . 62.0 tttt -45.21 -41.13 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.57 -47.16 58.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.406 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 21' ' ' VAL . 20.2 tp -58.06 -56.03 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 75' ' ' LYS . 67.1 mt -48.99 -45.12 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.81 -35.77 82.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -65.3 -40.4 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.905 HG21 HG22 ' A' ' 23' ' ' VAL . 39.0 t -69.18 -45.51 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -64.55 -30.43 71.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -85.33 -37.82 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.21 -52.36 19.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -57.25 -37.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -82.68 -55.94 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.67 -17.09 63.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.53 -37.53 21.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.0 -41.1 64.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -26.67 63.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.35 -49.37 27.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.32 -51.72 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -68.08 128.61 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -123.26 172.86 8.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -39.0 136.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -134.01 141.51 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.0 t 61.23 44.56 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.85 -92.37 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.443 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.2 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.6 p -42.18 114.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 97.5 p -60.65 -46.17 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -132.28 126.74 34.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -53.15 159.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.65 93.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -118.5 108.05 14.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -84.51 173.49 10.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.09 55.2 0.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -108.6 142.0 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.276 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -156.63 130.04 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.01 120.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tp -168.38 152.51 5.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -144.38 131.5 20.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.54 133.45 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -104.47 -36.51 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.9 p -95.14 136.68 22.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.73 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.383 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -148.02 153.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 m -97.34 135.73 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 71' ' ' LEU . 34.0 pt -117.83 176.75 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.175 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' OE1' HG21 ' A' ' 61' ' ' ILE . 20.4 mt-10 -126.08 125.37 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.9 t -116.16 124.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.0 106.61 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 82' ' ' VAL . 92.4 t -145.43 133.47 10.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.675 0.75 . . . . 0.0 111.127 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.1 Cg_endo -69.75 137.41 35.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 29.8 t80 -60.87 -16.82 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.48 -16.41 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.89 ' CD1' HG13 ' A' ' 82' ' ' VAL . 69.7 mt -101.27 -26.88 13.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -44.02 -55.23 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -48.31 -33.47 8.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -80.88 -39.88 25.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 39' ' ' ILE . 65.8 t -64.92 -55.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt -48.99 -42.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 97.46 156.7 30.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 20.3 pt20 -36.74 -40.54 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -126.03 -53.5 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.57 -26.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.9 m -44.96 -25.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -65.79 3.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.45 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' CG1' HG12 ' A' ' 31' ' ' VAL . 60.6 mt -63.75 -41.18 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -41.82 -49.49 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -39.28 -56.71 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mtp -58.35 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -44.48 -27.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.53 -28.31 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -85.85 -60.72 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.08 -11.73 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.28 53.6 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.669 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.3 m -134.66 178.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -120.13 119.85 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -108.41 135.68 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -126.08 121.32 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.3 t -102.06 133.58 20.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.87 134.84 28.7 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.05 168.23 4.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.71 -23.19 31.3 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.403 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 -15.9 61.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 49.56 45.59 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 140.62 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.33 23.44 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.521 HG21 ' OE1' ' A' ' 20' ' ' GLU . 3.4 mm -124.71 118.53 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.4 mt -92.12 137.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.55 125.09 46.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.579 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.7 mt -119.58 118.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.5 m -98.84 139.62 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.19 179.07 32.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ALA . 55.5 mt -68.17 135.92 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.26 -26.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -78.85 -44.78 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.669 ' HB3' HG13 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -70.81 -29.18 65.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 68' ' ' ALA . 10.9 mt -70.08 -34.7 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.86 -58.66 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -58.74 -43.9 90.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -53.23 -35.28 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.35 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.42 -40.59 23.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ARG . 12.3 tp -63.86 -58.75 5.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.1 mt -42.15 -49.19 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -69.86 -26.09 64.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tpt180 -75.26 -32.88 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.89 HG13 ' CD1' ' A' ' 27' ' ' LEU . 94.6 t -71.69 -39.93 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -69.93 -32.09 70.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 17.4 tt0 -82.28 -55.67 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 mt -47.7 -51.75 20.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.466 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 3.0 pt20 -58.45 -31.86 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -60.69 -15.0 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -74.43 -68.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 86' ' ' GLN . 19.3 pm0 -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 7.9 mm-40 -82.72 -25.99 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -57.12 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -61.76 -44.69 96.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.64 -28.97 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -81.72 -67.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 70.77 39.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.7 t -125.73 125.94 43.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 97' ' ' PHE . 3.0 p90 -34.99 121.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -130.14 99.05 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 p -67.65 132.6 47.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.58 -90.92 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 0.88 5.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 m 51.05 38.31 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.3 m -123.32 158.52 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -90.69 109.99 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -52.44 177.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.82 53.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -132.28 148.69 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 p -91.96 -38.32 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.19 117.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -142.19 162.15 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.684 0.278 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -161.88 157.44 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.92 95.06 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.643 HD23 ' C ' ' A' ' 11' ' ' LEU . 4.7 tt -168.67 124.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -129.44 116.89 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.0 118.49 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.5 mp -62.29 -27.06 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.4 p -97.97 134.25 22.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.7 Cg_endo -69.75 -178.76 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.56 153.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 m -95.24 132.59 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.482 HD13 ' HB3' ' A' ' 71' ' ' LEU . 37.7 pt -112.99 -179.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.39 126.56 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -119.27 139.18 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -83.67 105.23 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.907 HG22 HG21 ' A' ' 82' ' ' VAL . 79.5 t -142.14 130.93 11.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.742 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.47 25.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.476 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 28.7 t80 -58.35 -17.52 20.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.39 -18.9 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' TYR . 95.9 mt -101.45 -28.25 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 48.5 m170 -37.74 -58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -47.85 -36.98 12.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LEU . 24.4 m-85 -82.63 -28.7 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.32 -51.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.195 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.94 -54.13 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.85 -173.33 25.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -73.22 -42.5 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLY . 53.4 mttt -124.7 49.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 35.84 46.98 0.93 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.9 m -97.59 -43.33 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.894 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.99 -49.01 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 50' ' ' ILE . 74.8 mt -71.36 -51.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -40.49 -41.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -53.91 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -45.04 79.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.1 mtm -55.28 -30.6 60.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -23.85 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -88.23 -61.65 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 48' ' ' VAL . 42.2 m-85 -75.06 -3.35 32.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 50.07 50.41 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' PHE . 14.2 m -128.85 -175.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.15 122.54 35.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 39' ' ' ILE . 73.9 mt -110.04 134.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' ILE . 3.2 m-70 -123.21 142.55 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.8 t -122.68 138.66 29.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 134.92 29.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -59.47 168.26 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.75 -27.02 27.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.61 -34.78 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.8 -27.95 60.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 52.2 54.37 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -110.63 150.33 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.91 25.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.18 117.78 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 51' ' ' HIS . 49.5 mt -94.94 138.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.1 131.57 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 HD22 ' A' ' 78' ' ' LEU . 58.3 mt -122.76 123.22 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -99.03 133.12 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 164.91 169.48 28.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ALA . 79.7 mt -63.15 140.49 58.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.55 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.18 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.99 -51.02 69.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.892 HD11 HG23 ' A' ' 17' ' ' VAL . 18.9 mt -45.35 -39.55 6.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -50.84 72.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.6 mtt180 -64.49 -50.67 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 79' ' ' LEU . 56.7 tttt -46.17 -38.7 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.85 90.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.88 -55.86 10.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 tp -47.13 -54.38 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 ' HE2' ' A' ' 75' ' ' LYS . 78.5 mt -45.95 -61.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HA ' ' HZ2' ' A' ' 83' ' ' LYS . 9.8 mt-10 -49.91 -47.35 52.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 5.2 tpt85 -47.6 -42.51 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.907 HG21 HG22 ' A' ' 23' ' ' VAL . 84.5 t -73.65 -34.5 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HZ2' ' HA ' ' A' ' 80' ' ' GLU . 6.3 mtmp? -70.16 -33.01 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -85.54 -52.12 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 34.6 mt -54.62 -49.55 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.07 -35.46 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.7 -29.84 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.95 -62.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -49.97 -34.12 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' ALA . 93.5 mt-10 -79.01 -42.55 26.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' GLU . 32.3 t0 -34.53 -64.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 -46.72 -39.93 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -70.45 -38.41 74.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.25 -25.02 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 46.63 42.64 11.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 t -161.37 166.98 26.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -119.75 121.18 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -84.92 -44.42 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.8 t -173.75 139.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.43 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.48 10.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -96.26 148.58 22.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 p -122.67 131.59 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -154.53 105.94 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -47.34 95.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.89 -136.84 12.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -166.36 139.17 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -104.64 134.61 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.14 137.25 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 161.37 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.704 0.288 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -155.16 167.54 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.66 108.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -164.3 140.04 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -124.04 116.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.65 124.46 25.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -98.55 -41.14 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.3 p -97.91 137.17 20.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.7 -175.72 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.768 HG23 HD11 ' A' ' 71' ' ' LEU . 3.8 m -143.29 158.21 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 m -98.04 131.39 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 64' ' ' ILE . 12.9 pt -114.79 -177.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.65 131.31 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -124.95 127.18 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.95 110.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.765 HG22 HG21 ' A' ' 82' ' ' VAL . 83.0 t -146.02 130.82 8.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.06 22.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -56.18 -21.29 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.68 -11.49 54.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 54.5 mt -106.08 -27.96 10.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.611 ' CE1' HG13 ' A' ' 52' ' ' VAL . 27.5 m170 -43.31 -60.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 16.8 ptt180 -47.33 -27.31 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 11.3 m-85 -90.54 -31.63 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' A' ' 39' ' ' ILE . 77.2 t -73.82 -53.18 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.99 -61.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.75 150.63 12.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.72 -33.22 46.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.353 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -107.33 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.06 36.77 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.7 p -98.83 -46.77 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.21 -72.82 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.043 HG23 HD12 ' A' ' 50' ' ' ILE . 73.7 mt -56.43 -45.96 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -52.91 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -44.89 -48.52 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.53 ' HE2' HD11 ' A' ' 50' ' ' ILE . 4.3 mtm -68.9 -36.55 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.0 mtm -65.88 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.14 -38.6 17.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.09 -49.0 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.903 ' O ' HG13 ' A' ' 48' ' ' VAL . 39.4 m-85 -89.85 8.92 29.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 45.8 31.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 46' ' ' PHE . 9.7 m -116.08 177.22 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -131.18 113.37 13.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.043 HD12 HG23 ' A' ' 39' ' ' ILE . 96.9 mt -81.08 148.73 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.1 t-80 -131.06 110.89 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.611 HG13 ' CE1' ' A' ' 28' ' ' HIS . 42.0 t -103.57 134.68 19.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.641 0.734 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.5 Cg_endo -69.69 142.59 48.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.4 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -63.73 163.43 21.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.2 Cg_endo -69.84 -22.07 32.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -78.32 -14.94 59.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD12 ' H ' ' A' ' 54' ' ' ALA . 66.3 mt -88.06 -27.42 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.54 47.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -113.13 148.59 35.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -116.42 25.28 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -117.83 116.76 52.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -94.68 142.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' HIS . . . -108.87 127.05 53.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 19' ' ' ILE . 27.3 mt -113.57 134.86 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -109.64 134.55 51.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.539 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.19 169.07 23.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASN . 82.3 mt -62.26 140.62 58.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.48 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -77.67 -44.76 27.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 m-20 -69.79 -29.0 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.768 HD11 HG23 ' A' ' 17' ' ' VAL . 19.6 mt -67.9 -30.03 69.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.35 -61.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -59.2 -29.75 67.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -78.7 -53.08 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -57.86 -30.96 66.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.11 96.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.036 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.36 -51.37 56.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 HG11 ' A' ' 21' ' ' VAL . 13.9 tp -55.58 -58.58 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.3 mt -47.28 -54.28 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.78 -27.42 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.88 -40.66 75.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.765 HG21 HG22 ' A' ' 23' ' ' VAL . 93.9 t -68.25 -45.32 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -77.83 -51.67 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -53.0 -55.04 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.59 -35.77 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 91' ' ' ASP . . . -62.9 -22.75 66.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.21 -71.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -44.0 -27.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ALA . 7.9 tt0 -91.53 -44.61 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -43.24 -43.98 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -30.43 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -77.34 -46.61 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' HG2' ' A' ' 95' ' ' ARG . 33.5 tp -63.19 -60.14 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 94' ' ' LEU . 14.6 ptt180 39.1 37.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.3 p -73.03 86.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.6 p90 38.32 39.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HE2' ' CG ' ' A' ' 101' ' ' PRO . 12.2 tptm -69.29 113.77 6.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.5 t -107.35 40.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 52.49 68.55 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' CG ' ' HE2' ' A' ' 98' ' ' LYS . 53.8 Cg_endo -69.73 -21.03 34.18 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.252 . . . . 0.0 112.376 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.2 p -158.15 164.38 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 m -104.6 147.36 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.411 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -150.93 114.45 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 p -96.21 178.69 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.33 113.54 0.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -157.57 139.8 14.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -133.03 147.17 52.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.52 49.45 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -64.04 149.2 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.91 145.24 49.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.98 93.29 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.524 HD23 ' C ' ' A' ' 11' ' ' LEU . 6.2 tt -139.54 131.59 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.99 118.87 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.66 136.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -106.94 -38.86 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.2 p -96.11 135.89 22.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.76 -177.92 2.1 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 71' ' ' LEU . 2.0 m -144.1 157.06 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.4 m -98.32 132.02 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 71' ' ' LEU . 35.1 pt -116.55 -175.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -133.62 131.34 39.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 78' ' ' LEU . 2.0 t -124.61 137.82 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.83 115.31 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 HG21 ' A' ' 82' ' ' VAL . 96.9 t -154.4 125.12 3.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.547 0.689 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 135.48 30.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 26.0 t80 -57.54 -20.49 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -19.46 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD12 HG13 ' A' ' 82' ' ' VAL . 46.1 mt -98.11 -29.92 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 22.1 m170 -41.65 -54.13 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -43.82 -35.91 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.04 -40.08 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -56.81 -47.73 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -71.4 -30.6 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.68 -176.03 54.74 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.448 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -42.55 -58.56 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.53 -64.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.7 29.82 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.56 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -89.12 -21.24 23.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.956 0.408 . . . . 0.0 110.865 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.34 -35.88 77.3 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 50' ' ' ILE . 44.0 mt -84.14 -48.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -42.87 -46.71 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -44.47 -53.38 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.48 -34.88 79.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 39.5 mtm -65.49 -36.82 85.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.79 -30.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -74.36 -49.92 20.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 55.5 m-85 -90.51 -7.41 53.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 58.99 45.81 14.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.46 -174.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.1 120.68 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 85.9 mt -102.81 132.33 49.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -122.22 107.61 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.7 t -91.22 138.82 25.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.55 0.69 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.759 2.306 . . . . 0.0 112.301 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.42 168.31 2.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.048 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.77 -22.3 32.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.89 -34.06 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.31 -20.1 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 44.56 47.3 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -99.0 149.58 22.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -114.25 18.54 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -123.92 122.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.23 142.61 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.81 123.51 48.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.6 mt -112.5 126.36 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.3 m -102.12 136.04 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 158.63 170.26 23.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 77.4 mt -61.41 137.35 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.875 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -38.75 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -75.68 -45.52 36.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.4 m-20 -69.5 -32.61 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -64.23 -34.28 77.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.92 -58.2 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' NH2' ' O ' ' A' ' 46' ' ' PHE . 31.1 ptt180 -60.95 -41.68 96.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -65.97 -58.93 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -50.03 -35.63 25.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.01 81.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.65 -46.53 61.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 21' ' ' VAL . 19.6 tp -60.54 -61.31 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.54 -51.07 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.54 -31.3 72.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.7 tpt180 -68.23 -37.23 80.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.845 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -71.6 -38.46 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -69.54 -39.37 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.16 -48.82 15.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.8 mt -53.77 -55.64 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -55.93 -26.31 47.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.91 -22.48 56.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -90.05 -41.5 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -75.47 -20.48 58.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -92.71 -24.84 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.56 -53.25 60.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.9 -28.15 34.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.26 -39.11 23.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 94' ' ' LEU . 2.9 tt -72.87 -28.04 62.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 55.58 52.25 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.48 ' HB2' HD22 ' A' ' 94' ' ' LEU . 3.6 t -97.88 149.65 22.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -75.42 79.98 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -135.91 135.51 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.0 m -94.06 177.48 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.79 145.49 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -174.38 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.7 p -173.43 153.36 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 p -114.62 17.1 17.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -105.08 -47.38 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -95.56 91.25 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.68 41.73 1.62 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -71.9 119.26 15.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -141.1 128.03 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.46 148.69 1.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 157.39 43.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -152.71 158.92 43.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.82 19.15 20.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tp -161.13 132.14 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.01 131.47 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.4 168.15 22.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -119.94 -40.41 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG13 ' HD2' ' A' ' 16' ' ' PRO . 60.3 t -96.85 137.88 21.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.607 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -171.35 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.89 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -146.42 150.73 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -90.72 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 71' ' ' LEU . 14.6 pt -121.52 178.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' HG21 ' A' ' 61' ' ' ILE . 25.2 mt-10 -126.77 124.08 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG11 HD23 ' A' ' 78' ' ' LEU . 12.0 t -116.29 140.48 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.04 106.96 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.963 HG22 HG21 ' A' ' 82' ' ' VAL . 91.0 t -147.05 126.33 6.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.83 136.52 33.01 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 16.5 t80 -55.23 -33.3 62.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.78 -21.66 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 82' ' ' VAL . 56.2 mt -94.92 -33.6 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 30.3 m170 -40.42 -46.79 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -50.97 -39.9 56.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' LEU . 35.9 m-85 -82.96 -40.26 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.98 -58.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.174 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt -58.06 -61.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.7 -168.23 46.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.55 128.4 35.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.981 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' GLY . 15.5 mmtm 38.74 52.61 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.4 67.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.2 p -90.64 -60.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' CG ' ' A' ' 41' ' ' LYS . . . -48.16 -35.37 13.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -76.19 -37.01 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.52 -59.13 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 6.8 pttm -39.11 -41.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 56.6 mtp -72.36 -50.42 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLU . 76.7 mtm -53.46 -45.86 69.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.66 76.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.7 -55.91 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 52.1 m-85 -89.65 -0.94 57.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' MET . 72.1 mt-10 57.56 34.87 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.37 177.74 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -128.26 115.13 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -100.21 129.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.2 130.89 56.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.1 t -108.23 138.61 20.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.72 136.54 33.36 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -48.32 163.48 0.3 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.68 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.6 Cg_endo -69.8 -29.22 24.03 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.35 -35.34 80.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.71 -18.24 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 38.42 47.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -95.74 159.59 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -119.82 19.8 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 ' OE1' ' A' ' 20' ' ' GLU . 8.1 mm -119.12 111.22 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.3 mt -88.32 143.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.83 120.97 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 21' ' ' VAL . 61.1 mt -114.25 128.35 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.1 m -104.69 139.23 39.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.14 170.36 24.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.412 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.4 mt -63.11 137.86 58.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -41.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -52.48 52.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.69 -48.28 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.89 HD11 HG23 ' A' ' 17' ' ' VAL . 32.3 mt -47.22 -39.69 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.63 -60.18 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 mtp85 -53.47 -55.9 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 21' ' ' VAL . 40.6 tttp -46.53 -42.71 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.5 88.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.69 88.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD23 HG11 ' A' ' 21' ' ' VAL . 14.0 tp -61.36 -55.85 26.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 mt -41.32 -51.58 3.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.27 -41.82 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.07 -37.71 80.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 23' ' ' VAL . 53.8 t -72.81 -39.75 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -68.53 -36.0 78.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.85 -40.97 23.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.1 -57.05 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 5.8 pt20 -51.07 -44.46 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -52.63 -32.11 40.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -86.59 -72.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 3.5 pt20 -39.15 -33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.2 -48.02 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -43.92 -44.07 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 93' ' ' ALA . 15.8 ptm180 -71.94 -39.26 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 92' ' ' ARG . . . -58.64 -46.62 86.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.76 -45.84 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 64.86 43.15 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -87.23 41.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -91.56 131.25 37.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' SER . 20.5 ttpp -125.76 149.53 48.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' LYS . 5.3 t -36.96 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.98 164.25 28.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -43.57 2.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.615 2.21 . . . . 0.0 112.418 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.1 p -136.76 144.16 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.9 p -110.92 90.88 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -113.28 42.03 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -158.02 118.81 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.94 52.21 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -154.39 142.99 20.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -130.51 151.84 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.06 127.27 4.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -125.2 -56.54 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -129.21 163.16 26.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.02 118.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.1 tp -153.14 139.43 18.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -147.32 133.55 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . -174.88 122.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.751 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.0 mp -36.43 -44.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 16' ' ' PRO . 84.1 t -80.11 138.62 52.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.77 177.81 5.21 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.619 2.213 . . . . 0.0 112.394 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.899 HG23 HD11 ' A' ' 71' ' ' LEU . 3.5 m -140.82 159.34 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -104.92 132.52 51.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.35 -179.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -124.31 124.56 42.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.2 t -115.58 136.07 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -82.91 97.56 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.787 HG22 HG21 ' A' ' 82' ' ' VAL . 97.4 t -133.11 125.7 19.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.592 0.711 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.77 134.01 26.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.7 t80 -54.42 -30.9 53.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.44 -18.53 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 24' ' ' PRO . 69.3 mt -98.62 -33.07 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 18.6 m170 -39.63 -63.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -40.21 -34.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -84.6 -38.58 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' HIS . 97.0 t -64.87 -53.96 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.98 -52.48 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 -171.72 28.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -74.83 -57.83 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -112.61 49.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.21 48.11 6.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.445 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' GLY . 47.6 t -97.69 -59.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.11 -43.67 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.531 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.6 -44.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -44.19 -44.43 7.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -47.89 -49.0 31.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.1 mtp -67.11 -61.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.4 mtm -45.95 -34.73 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.0 -33.76 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.96 -62.92 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 88.3 m-85 -75.92 -8.54 57.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 61.45 47.02 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -125.69 -175.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -131.75 116.21 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -104.91 129.95 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -117.94 126.53 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.4 t -107.24 139.01 20.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.746 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.68 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.4 Cg_endo -69.74 132.6 23.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.63 168.44 0.62 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.058 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.837 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.4 Cg_endo -69.89 -27.57 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.264 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -69.71 -36.1 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 93.0 mt -67.67 -23.34 65.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 49.07 50.73 17.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -114.4 153.81 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -118.8 22.83 11.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -115.56 117.21 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 53.7 mt -94.71 135.83 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.93 42.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.553 ' CD1' HG21 ' A' ' 21' ' ' VAL . 47.3 mt -113.3 123.34 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.2 m -99.93 142.13 31.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.586 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 157.47 172.37 24.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.52 141.4 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.883 0.373 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.56 -41.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.06 25.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -60.37 -52.79 63.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.899 HD11 HG23 ' A' ' 17' ' ' VAL . 30.5 mt -42.05 -43.87 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.92 -55.5 34.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 5.5 mtm180 -58.25 -55.47 34.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.85 -62.28 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HE2' HD11 ' A' ' 79' ' ' LEU . 81.0 tttt -44.26 -42.37 6.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.29 75.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.23 -52.38 52.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.41 -56.76 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.563 HD11 ' HE2' ' A' ' 75' ' ' LYS . 34.6 mt -43.27 -53.39 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -57.6 -41.41 81.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.787 HG21 HG22 ' A' ' 23' ' ' VAL . 96.8 t -66.97 -40.02 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.2 -41.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.2 tp10 -71.38 -54.31 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.1 mt -47.65 -59.75 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' GLU . 4.2 pt20 -50.79 -43.91 58.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -50.8 -30.48 14.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.66 -71.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -44.66 -24.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 86' ' ' GLN . 38.8 tt0 -88.17 -39.28 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 87' ' ' ALA . 11.8 m-20 -42.19 -55.68 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -56.37 -31.22 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.15 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.18 -26.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -62.3 139.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.0 p 41.91 39.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -138.24 130.25 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' HE2' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -61.66 131.35 49.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 t -89.44 -56.57 3.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.45 146.24 4.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.0 Cg_endo -69.85 2.87 3.19 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.2 m -34.6 -57.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.4 p -96.03 -48.92 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.463 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -108.77 87.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.09 115.44 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.04 122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -82.24 98.69 8.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -141.01 113.51 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.9 144.52 11.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -120.63 151.87 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.313 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -155.43 132.82 11.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.72 109.25 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -147.11 134.12 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -128.48 118.46 23.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.18 117.12 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.672 ' H ' HD12 ' A' ' 14' ' ' LEU . 3.4 mp -69.95 -49.0 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.7 p -72.22 136.32 81.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.8 Cg_endo -69.82 -175.09 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 HD11 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -146.93 154.68 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -91.82 123.63 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.661 ' CG2' HD13 ' A' ' 71' ' ' LEU . 24.8 pt -111.96 169.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.74 126.21 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 64' ' ' ILE . 11.6 t -114.37 137.49 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.74 107.69 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 HG21 ' A' ' 82' ' ' VAL . 98.5 t -153.03 127.5 4.6 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.687 0.756 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.7 Cg_endo -69.79 137.34 35.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.406 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 22.8 t80 -58.31 -18.77 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.69 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' CD1' HG13 ' A' ' 82' ' ' VAL . 81.0 mt -102.6 -31.24 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CD2' HD11 ' A' ' 62' ' ' ILE . 55.9 m170 -40.65 -57.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -44.29 -37.27 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.27 -34.21 25.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 HD11 ' A' ' 39' ' ' ILE . 80.4 t -66.98 -57.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -54.03 -61.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.8 -179.16 23.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -74.97 -34.62 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 36' ' ' GLY . 13.5 tttt -129.53 43.62 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 37.08 43.54 0.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m -98.99 -47.77 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.836 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.19 -41.97 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 31' ' ' VAL . 19.1 mt -74.12 -46.58 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -43.16 -43.23 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -43.95 -49.89 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLU . 23.3 mtp -67.16 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.9 mtm -39.87 -30.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.97 -34.12 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -70.06 -49.11 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 93.6 m-85 -93.21 -8.04 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 62.12 45.59 6.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 46' ' ' PHE . 2.3 m -126.24 -176.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -129.88 112.99 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 98.2 mt -95.1 134.06 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' ILE . 5.0 m-70 -121.61 129.75 53.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.3 t -109.5 138.0 20.46 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.186 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.3 Cg_endo -69.82 139.63 40.5 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -52.27 165.19 0.53 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.75 -31.1 21.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.54 -34.35 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.83 -21.67 57.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 37.89 52.0 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 148.2 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.22 20.19 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.2 mm -122.28 107.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 51' ' ' HIS . 57.8 mt -84.58 139.34 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.67 44.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.672 ' CD1' HG21 ' A' ' 21' ' ' VAL . 59.8 mt -116.77 129.7 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.4 m -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.64 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.64 178.56 35.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 14' ' ' LEU . 80.0 mt -70.89 136.1 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.96 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -73.95 -51.88 14.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -63.71 -44.05 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.784 HD11 HG23 ' A' ' 17' ' ' VAL . 20.2 mt -51.44 -39.24 57.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.18 -51.55 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 4.2 mtt-85 -63.58 -55.44 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -52.86 -40.06 63.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.84 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.67 -48.79 78.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 82' ' ' VAL . 12.2 tp -60.54 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -50.21 -49.51 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.35 -35.52 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -67.27 -32.87 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.851 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -74.19 -35.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -72.4 -34.44 67.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -27.45 27.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.31 -57.53 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.9 pt20 -61.69 -45.14 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.61 -72.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -46.3 -23.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 6.3 mm-40 -91.37 -33.48 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -43.62 -37.34 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -66.75 -59.33 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.16 -23.04 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -77.12 -50.63 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -66.08 -27.19 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -97.69 109.24 22.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.16 170.7 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -52.29 139.56 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -40.34 121.84 1.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.36 83.14 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.66 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.314 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.3 p -65.74 172.1 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -68.65 145.03 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 p -45.39 149.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -72.99 135.54 44.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 120.4 5.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -173.74 120.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.91 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -69.94 -50.73 39.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.71 46.86 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -56.38 106.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 6.2 mt-10 -147.78 148.4 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 9' ' ' GLU . . . 73.36 25.02 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -148.16 141.9 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -143.83 130.22 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.34 167.65 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 14' ' ' LEU . 3.1 pp -122.31 -34.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.2 t -70.85 138.83 85.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.739 . . . . 0.0 111.164 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.79 178.73 4.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -143.81 153.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 m -94.76 147.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 71' ' ' LEU . 25.9 pt -130.35 -177.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -130.21 122.91 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.612 HG21 HD12 ' A' ' 64' ' ' ILE . 2.5 t -118.35 131.52 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.47 110.66 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 82' ' ' VAL . 99.8 t -146.87 123.91 5.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 132.5 23.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 21.0 t80 -53.65 -31.42 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.34 -19.51 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 82' ' ' VAL . 27.9 mt -97.38 -34.8 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 42.6 m170 -34.77 -58.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -42.74 -43.8 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' LEU . 25.9 m-85 -76.91 -40.51 47.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG12 ' CG1' ' A' ' 39' ' ' ILE . 66.8 t -59.66 -62.61 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 63.2 mt -49.47 -43.75 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.8 -177.18 52.32 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -52.8 -60.64 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLY . 8.0 tmtm? -131.74 79.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.76 44.24 0.46 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.9 m -95.76 -59.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.16 -40.73 4.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.689 HG23 HD12 ' A' ' 50' ' ' ILE . 83.7 mt -79.95 -40.74 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 1.7 tmt_? -47.79 -45.76 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -48.54 -52.68 21.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . 46.1 mtp -62.01 -63.19 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.443 ' HE2' ' HA ' ' A' ' 40' ' ' ARG . 77.9 mtm -41.43 -47.24 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.27 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -75.38 -62.99 1.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 53.8 m-85 -79.81 4.58 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 48.12 50.42 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 46' ' ' PHE . 11.9 m -128.15 -179.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -125.27 122.57 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG23 ' A' ' 39' ' ' ILE . 90.4 mt -105.57 130.61 56.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.11 118.34 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 53' ' ' PRO . 48.6 t -101.34 137.63 19.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.86 134.63 28.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.74 166.25 1.08 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.0 Cg_endo -69.75 -27.33 26.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.16 -13.07 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 54' ' ' ALA . 23.7 mt -91.72 -22.82 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -109.9 151.43 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.57 20.07 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mm -117.76 116.36 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.4 mt -92.72 136.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.098 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.59 119.09 37.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.612 HD12 HG21 ' A' ' 21' ' ' VAL . 73.6 mt -111.45 124.09 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.7 m -101.64 138.42 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.33 168.61 22.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 mt -62.27 139.02 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.786 0.327 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.37 -39.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.83 -48.46 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 48.7 m-20 -65.67 -46.25 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.922 HD11 HG23 ' A' ' 17' ' ' VAL . 53.2 mt -49.18 -37.52 22.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.11 -65.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -50.65 -43.62 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -66.53 -58.34 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.0 tttt -52.35 -35.07 50.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.81 87.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.24 -44.7 64.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' ARG . 13.8 tp -61.58 -60.44 3.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.685 HD11 ' HE2' ' A' ' 75' ' ' LYS . 52.1 mt -38.58 -48.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -67.29 -39.44 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 6.0 tpt180 -60.29 -39.2 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 23' ' ' VAL . 92.1 t -71.35 -54.63 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -54.63 -39.13 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.79 -46.24 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.2 mt -54.86 -58.7 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 20.0 pt20 -51.71 -46.13 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -54.2 -28.66 42.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' GLU . 76.1 mm-40 -90.17 -71.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -40.29 -27.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' ASP . 7.0 tp10 -83.16 -45.26 14.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' GLU . 43.2 t0 -35.49 -39.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -61.39 -61.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.44 -54.26 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.4 tp -40.76 -40.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -86.84 98.55 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -128.51 141.11 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -38.63 109.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLY . 8.8 tppt? -89.82 141.48 28.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -48.2 91.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . . . 46.39 86.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 103.29 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 m -52.36 133.18 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -43.95 150.44 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.537 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -145.96 113.25 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -63.39 -40.34 96.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.64 79.37 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.74 93.2 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -120.51 115.02 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.3 59.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.547 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.8 mptt -111.96 153.96 25.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.37 108.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.74 101.69 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 11' ' ' LEU . 4.2 tt -155.14 133.88 12.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -138.45 123.35 18.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.81 123.88 12.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.8 mt -57.71 -47.98 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 91.2 t -82.51 138.81 44.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.83 -176.94 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.743 2.296 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 71' ' ' LEU . 3.7 m -146.18 155.57 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 m -92.57 134.22 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' CG2' HD13 ' A' ' 71' ' ' LEU . 23.4 pt -119.03 169.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -121.19 123.65 42.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 78' ' ' LEU . 5.1 t -116.93 127.34 74.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.28 114.48 9.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG22 HG21 ' A' ' 82' ' ' VAL . 75.8 t -157.02 125.83 3.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.45 35.38 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 27.2 t80 -57.58 -21.75 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.67 -21.47 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.0 mt -101.02 -28.84 12.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 41.2 m170 -39.75 -57.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.5 ptp180 -46.55 -36.24 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -82.89 -27.16 30.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.55 -54.71 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -64.25 -38.19 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.35 -156.16 36.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -91.09 -46.3 8.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' GLY . 21.3 mtpp -121.89 52.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.84 40.85 0.22 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -88.91 -49.92 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 41' ' ' LYS . . . -54.41 -30.68 49.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt -85.08 -33.22 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -59.36 -50.39 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 7.2 pttp -41.68 -37.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.4 mtp -81.42 -41.66 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.01 -29.93 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -84.55 -27.04 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.8 -55.07 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 48' ' ' VAL . 52.2 m-85 -86.32 1.47 50.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 49.95 28.75 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 46' ' ' PHE . 28.5 m -106.06 -177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -130.68 119.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.8 mt -100.73 132.68 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 127.9 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -104.3 138.92 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.672 0.749 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.71 135.95 31.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.99 153.44 3.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.637 0.732 . . . . 0.0 111.065 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.84 31.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.13 -6.71 57.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.4 mt -99.2 -21.34 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 56.33 33.64 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 7.2 t -83.42 136.72 34.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.4 19.78 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.86 120.41 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -90.63 141.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.83 123.27 47.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 21' ' ' VAL . 59.1 mt -116.53 130.0 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.1 m -105.87 137.21 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 162.9 173.03 31.12 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 41.0 mt -66.71 140.3 57.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.26 -43.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.12 76.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -64.84 -49.81 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 HG23 ' A' ' 17' ' ' VAL . 21.4 mt -48.26 -35.08 11.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -44.53 75.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 8.5 mtp180 -69.37 -54.16 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -56.8 -57.32 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -48.36 -47.13 37.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.85 -39.11 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.93 -55.69 10.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 21' ' ' VAL . 19.4 tp -49.29 -55.51 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -47.08 -60.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.32 -33.4 58.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.98 -37.78 88.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.804 HG21 HG22 ' A' ' 23' ' ' VAL . 20.3 t -69.28 -41.06 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.96 -44.11 93.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.15 -34.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.22 -37.86 78.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 2.0 pt20 -75.88 -26.3 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.93 28.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 9.0 pt-20 -82.21 -44.62 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 3.3 pt20 -70.14 -23.29 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 27.3 mm-40 -91.76 -38.07 12.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' GLU . 7.5 t0 -38.22 -56.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -51.94 -36.21 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -73.7 -42.42 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 43.94 54.42 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' PHE . 35.9 t -133.92 84.32 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.3 p90 -37.61 139.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -117.19 106.11 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.4 t -89.0 139.81 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -122.44 150.89 16.9 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 149.68 67.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.3 t -98.77 141.69 31.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.7 t -102.14 -45.63 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -105.42 131.56 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -106.62 144.02 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.99 113.83 1.13 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -110.06 165.91 11.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -85.8 176.13 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.5 113.66 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -149.58 162.21 40.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -166.64 128.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.35 21.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 tp -121.75 126.7 49.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -119.71 115.6 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.58 159.63 41.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 15' ' ' VAL . 4.3 pp -91.45 -37.83 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.2 p -72.04 136.42 82.23 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.638 0.732 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.8 -178.93 2.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 71' ' ' LEU . 4.8 m -142.08 150.08 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 m -90.64 134.17 34.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 pt -119.55 -175.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -132.02 133.62 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG21 ' CD1' ' A' ' 64' ' ' ILE . 2.0 t -125.87 138.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.64 112.2 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.766 HG22 HG21 ' A' ' 82' ' ' VAL . 91.7 t -151.6 131.35 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.34 23.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -57.79 -13.39 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.5 -12.22 60.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 82' ' ' VAL . 50.6 mt -103.58 -25.45 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -41.6 -60.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -47.0 -31.69 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -86.21 -25.07 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' CG1' ' A' ' 39' ' ' ILE . 49.7 t -78.13 -52.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -59.72 -47.39 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.69 -164.72 19.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.18 -41.32 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -118.56 48.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.82 36.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLY . 78.1 p -95.78 -47.0 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.404 . . . . 0.0 110.818 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.86 -71.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.45 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.797 HG23 HD12 ' A' ' 50' ' ' ILE . 96.7 mt -57.05 -38.33 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.29 42.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -48.36 -43.18 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.503 ' HE2' HD11 ' A' ' 50' ' ' ILE . 41.6 mtp -71.89 -44.07 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.7 mtm -58.87 -24.04 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -34.1 12.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.5 -57.8 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 73' ' ' ARG . 94.0 m-85 -78.1 -2.32 36.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 52.0 52.64 14.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 30.2 m -139.37 176.01 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.99 126.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.797 HD12 HG23 ' A' ' 39' ' ' ILE . 84.2 mt -107.06 136.41 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -121.75 122.35 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.94 130.32 23.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.541 0.686 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.64 68.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -66.57 165.75 22.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.519 0.676 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.72 -30.21 22.82 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.74 2.293 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.99 -20.4 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.58 -14.92 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 38.88 44.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -92.13 143.27 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.97 16.56 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -120.1 107.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -83.05 148.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.32 124.68 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 21' ' ' VAL . 48.5 mt -115.85 128.93 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.7 m -106.46 139.58 40.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.606 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.28 176.98 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD21 ' O ' ' A' ' 14' ' ' LEU . 43.8 mt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -38.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.53 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -73.86 -41.12 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.6 mt -55.74 -32.45 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.79 -61.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 13.1 ptt180 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -50.05 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -61.23 -42.71 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.62 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.65 -50.48 11.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.71 -52.49 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.0 mt -46.0 -54.87 7.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.91 -33.86 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 85' ' ' LEU . 5.6 tpt180 -69.72 -33.95 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.766 HG21 HG22 ' A' ' 23' ' ' VAL . 53.0 t -69.81 -54.2 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -54.53 -45.58 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.86 -51.72 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 81' ' ' ARG . 11.9 mt -49.33 -57.43 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -60.13 -26.46 66.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -31.26 56.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -80.35 -58.39 3.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 90' ' ' GLU . 2.7 pt20 -52.65 -31.93 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LEU . 63.3 tt0 -81.29 -46.7 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -53.16 -50.31 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -60.51 -30.13 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.68 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -51.44 -28.47 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 51.45 47.33 25.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 94' ' ' LEU . 1.3 t -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -65.13 173.19 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -119.34 161.57 20.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.8 t -72.76 -57.75 3.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.45 164.61 11.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 103' ' ' SER . 91.7 p -50.0 112.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 102' ' ' SER . 83.4 p 35.32 46.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -125.59 94.59 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -159.34 171.16 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.54 134.66 6.5 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -155.79 149.8 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.9 m -49.82 157.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.16 -174.33 19.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.53 158.8 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.63 150.45 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.43 115.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 12' ' ' GLU . 8.4 tt -159.52 142.62 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 11' ' ' LEU . 11.3 pt-20 -130.42 106.08 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.8 138.0 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 14' ' ' LEU . 1.3 pp -75.02 -37.53 61.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 16' ' ' PRO . 97.9 t -88.26 132.93 37.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.81 177.79 5.26 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 71' ' ' LEU . 1.3 m -147.49 165.3 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -105.47 138.9 40.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 21.7 pt -118.56 -178.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -132.83 128.76 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -118.45 135.34 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -81.61 101.2 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.016 HG22 HG21 ' A' ' 82' ' ' VAL . 93.9 t -140.97 133.1 14.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.76 139.94 41.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 6.7 t80 -59.81 -28.3 67.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.4 p30 -61.95 -30.01 70.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 82' ' ' VAL . 30.6 mt -86.35 -24.55 25.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.1 m170 -48.41 -49.74 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 8.7 ptp180 -56.3 -25.55 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 12.5 m-85 -91.41 -31.17 16.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.94 -52.02 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mt -57.97 -54.77 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.38 177.77 32.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.395 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.99 -57.69 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -111.62 46.34 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.87 41.2 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 p -94.72 -26.89 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.812 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.48 -43.62 76.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mt -82.84 -37.45 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.853 0.359 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.35 -51.35 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.0 mtm -64.26 -59.29 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.6 mtm -40.82 -29.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.85 -32.09 17.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.617 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -72.69 -48.76 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 76.3 m-85 -89.28 -15.08 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 65.82 42.26 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 16.1 m -122.72 -175.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -125.64 123.03 38.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -112.43 130.71 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' O ' HG23 ' A' ' 62' ' ' ILE . 4.6 m-70 -123.64 129.05 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.0 t -107.26 138.78 19.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.74 133.28 25.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.04 168.45 2.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.8 Cg_endo -69.79 -26.92 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.99 -15.34 62.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 mt -94.78 -26.99 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 50.32 53.91 12.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -111.46 140.44 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.36 19.18 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.56 115.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' HIS . 58.9 mt -92.51 137.08 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.6 131.02 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 52.4 mt -123.69 125.18 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -99.74 140.91 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 156.11 171.08 22.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.19 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.883 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.71 -35.46 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.81 -47.96 64.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 27.6 m-20 -67.3 -41.25 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.0 mt -54.18 -36.59 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.18 -61.52 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.5 -46.76 73.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.31 3.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.719 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.4 tttt -48.15 -33.81 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.65 91.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.52 -37.35 78.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.654 HD23 HG11 ' A' ' 21' ' ' VAL . 12.5 tp -70.06 -52.47 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 75' ' ' LYS . 63.9 mt -50.11 -48.56 53.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -75.11 -36.24 61.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.016 HG21 HG22 ' A' ' 23' ' ' VAL . 53.1 t -72.72 -34.23 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -77.03 -34.97 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -80.62 -41.31 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.97 -56.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.53 -40.24 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.67 -20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' ASP . 13.5 mt-10 -91.78 -72.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -41.78 -27.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.56 -40.1 17.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' GLU . 34.0 t70 -46.57 -39.59 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -77.08 -30.51 55.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.38 68.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -60.93 -40.6 93.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -38.79 130.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 m 61.81 39.44 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.65 -59.8 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -115.03 167.98 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 p -67.72 -51.02 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.48 151.67 19.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.31 60.89 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -172.58 116.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.6 p -128.63 169.25 14.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.674 0.749 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.348 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.827 HG23 HD11 ' A' ' 71' ' ' LEU . 3.0 m -147.06 150.37 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -94.41 137.6 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD13 ' HB3' ' A' ' 71' ' ' LEU . 41.0 pt -120.81 -176.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -130.62 129.0 42.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 64' ' ' ILE . 10.1 t -122.28 132.73 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.14 117.49 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 HG21 ' A' ' 82' ' ' VAL . 85.4 t -154.39 134.33 7.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.578 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 130.08 18.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.5 -18.9 21.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.85 -16.41 63.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 92.0 mt -100.03 -30.9 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.0 m170 -38.93 -64.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -39.85 -35.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -81.32 -34.57 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' HIS . 61.3 t -69.49 -50.74 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.031 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -50.88 -34.52 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.76 -35.65 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtp -75.42 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 58.8 mtm -45.06 -29.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -62.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -73.41 -6.2 44.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 54.55 53.67 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.2 m -136.4 -178.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -125.9 117.96 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.61 130.92 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -123.68 125.78 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.2 t -102.52 138.76 19.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -57.66 163.52 3.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.73 -31.22 21.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.75 -10.75 59.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.98 -30.43 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 57.46 35.88 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -94.98 140.98 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.58 15.08 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.3 mt -83.11 138.44 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.48 128.31 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 21' ' ' VAL . 21.4 mt -121.42 120.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.2 m -99.38 140.18 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 155.51 175.31 26.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' ASN . 90.8 mt -65.31 135.46 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.87 -34.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.043 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -44.57 75.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -72.69 -37.52 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.3 mt -58.71 -34.23 71.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -58.4 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 1.7 ptp180 -57.21 -43.92 83.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.89 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -50.35 -36.31 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.09 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.07 -44.44 60.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.52 -58.73 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.07 -49.52 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.9 -36.94 81.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 tpt85 -64.76 -35.46 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 27' ' ' LEU . 58.4 t -71.44 -44.6 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -65.55 -35.76 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -78.87 -32.62 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 16' ' ' PRO . 11.1 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.8 177.8 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 71' ' ' LEU . 2.6 m -141.59 159.97 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -101.31 134.84 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 pt -123.38 175.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -121.27 136.43 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.563 HG11 HD23 ' A' ' 78' ' ' LEU . 20.2 t -129.68 116.32 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -68.01 112.83 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 24' ' ' PRO . 98.0 t -148.46 138.45 12.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.4 Cg_endo -69.67 126.63 13.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 9.4 t80 -53.37 -36.01 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.76 -20.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.691 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.7 mt -96.61 -34.44 11.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 29.8 m170 -37.53 -58.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -45.65 -39.35 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' LEU . 16.8 m-85 -77.73 -41.52 37.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.16 -53.52 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -50.28 -53.11 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -46.99 -46.16 21.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.0 mtp -66.43 -62.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 70.8 mtm -43.99 -47.74 8.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -36.59 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -67.68 -57.71 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.719 ' O ' HG13 ' A' ' 48' ' ' VAL . 48.6 m-85 -90.11 11.63 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' MET . 4.8 mm-40 41.97 36.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 46' ' ' PHE . 34.6 m -106.75 -176.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -131.93 116.84 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.36 130.67 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -123.32 125.58 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 53' ' ' PRO . 92.9 t -107.49 138.65 20.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.1 Cg_endo -69.72 132.49 23.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -54.99 166.58 0.77 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.8 Cg_endo -69.78 -19.04 36.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 0.0 112.335 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.04 -29.46 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.32 -24.27 59.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 50.85 52.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 144.19 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.76 11.77 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 mm -102.84 109.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -88.36 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.62 128.76 52.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 HG21 ' A' ' 21' ' ' VAL . 69.2 mt -120.42 119.24 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -96.3 136.23 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.406 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 163.03 172.91 31.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 85.9 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.44 -41.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -53.48 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.3 m-20 -59.32 -46.19 89.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.895 HD11 HG23 ' A' ' 17' ' ' VAL . 40.1 mt -48.56 -43.03 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -55.85 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.76 -57.02 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -59.99 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -44.64 -44.68 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.86 84.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 HG11 ' A' ' 21' ' ' VAL . 17.5 tp -69.0 -60.05 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -45.25 -46.39 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.43 -40.19 89.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -57.82 -38.41 75.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.691 HG13 ' CD1' ' A' ' 27' ' ' LEU . 95.4 t -69.09 -56.16 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -51.23 -34.42 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -41.29 20.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.8 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.584 0.707 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.6 Cg_endo -69.73 179.49 3.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 HD11 ' A' ' 71' ' ' LEU . 4.2 m -145.57 156.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 m -101.29 128.74 47.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -111.69 -175.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -139.08 130.3 26.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.61 149.48 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.11 108.12 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.799 HG22 HG21 ' A' ' 82' ' ' VAL . 97.6 t -147.49 132.58 9.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.81 135.04 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.15 -19.29 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.5 -11.75 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.726 ' CD1' HG13 ' A' ' 82' ' ' VAL . 91.8 mt -105.19 -30.19 9.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -40.88 -51.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -49.03 -37.75 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -82.3 -38.95 23.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.77 -56.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ARG . 62.1 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' ILE . 1.4 tpm_? -35.3 -48.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -51.56 -50.38 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.2 mtm -62.81 -52.9 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.8 mtm -51.18 -41.74 60.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.16 -46.43 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.58 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 46.7 m-85 -76.9 -0.75 25.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 50.01 47.25 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.3 m -125.81 179.01 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -126.39 115.58 19.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG12 HG23 ' A' ' 64' ' ' ILE . 62.3 mt -102.77 129.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' ILE . 25.4 m-70 -114.39 130.75 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.9 t -109.96 138.69 20.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.8 141.55 45.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.709 2.272 . . . . 0.0 112.316 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -65.97 161.63 53.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.1 Cg_endo -69.75 -18.52 36.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -22.91 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.9 mt -87.08 -21.6 25.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.3 50.7 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -106.19 138.3 42.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.27 19.78 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -119.89 117.22 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' HIS . 62.5 mt -92.76 139.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.55 127.46 53.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 50' ' ' ILE . 16.1 mt -115.91 131.09 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -107.61 137.64 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.31 176.19 32.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.7 mt -67.24 136.69 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -36.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.02 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 7.9 m-20 -62.55 -44.56 96.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 18.9 mt -50.61 -37.77 42.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.47 -43.86 96.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.6 mtp85 -70.6 -53.74 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -54.46 -57.41 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -48.28 -41.56 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.45 78.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.04 -37.52 82.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.81 -51.8 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.11 -26.75 66.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -72.88 -33.85 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.799 HG21 HG22 ' A' ' 23' ' ' VAL . 90.7 t -72.76 -42.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -65.51 -37.48 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.33 -49.56 11.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.566 HG23 ' HD2' ' A' ' 16' ' ' PRO . 10.3 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.623 0.725 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.73 179.26 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.021 HG23 HD11 ' A' ' 71' ' ' LEU . 1.7 m -145.26 152.76 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.5 m -97.81 139.62 33.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -121.93 -177.71 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -129.14 126.32 39.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.6 t -118.82 125.41 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.52 110.14 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 82' ' ' VAL . 55.2 t -150.3 130.86 7.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.74 133.39 25.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 22.7 t80 -57.59 -18.69 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.72 -12.93 61.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' HG2' ' A' ' 24' ' ' PRO . 85.0 mt -104.46 -28.29 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 47.5 m170 -42.77 -61.76 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -44.08 -32.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.29 -32.4 26.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.9 t -74.95 -59.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.456 HG22 ' HG3' ' A' ' 43' ' ' MET . 67.5 mt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.904 0.383 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -46.43 -26.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -45.48 78.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 82.8 mtp -68.67 -55.78 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.456 ' HG3' HG22 ' A' ' 39' ' ' ILE . 44.5 mtm -47.56 -28.03 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.95 -42.69 12.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.49 -57.59 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.673 ' O ' HG13 ' A' ' 48' ' ' VAL . 74.9 m-85 -83.04 3.9 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 47.22 42.82 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 46' ' ' PHE . 35.6 m -122.81 -179.51 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.39 115.58 19.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -99.33 133.43 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 62' ' ' ILE . 12.3 m170 -120.3 131.19 54.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -108.9 138.8 20.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.78 137.39 35.31 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -58.58 157.09 20.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.1 Cg_endo -69.89 -11.86 31.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.47 -8.36 53.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -97.2 -26.61 14.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 58.59 37.11 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 4.9 t -90.97 138.73 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.39 21.3 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -123.7 116.95 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 51' ' ' HIS . 59.1 mt -90.01 137.19 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.35 126.6 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.663 ' CD1' HG21 ' A' ' 21' ' ' VAL . 50.0 mt -119.47 128.22 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.8 m -104.77 142.54 34.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.561 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.4 169.48 21.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 68' ' ' ALA . 59.8 mt -62.87 138.35 58.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.63 -36.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.94 57.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.8 m-20 -65.44 -45.11 85.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.021 HD11 HG23 ' A' ' 17' ' ' VAL . 23.9 mt -50.25 -35.77 28.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.96 -51.61 60.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 9.6 mtt180 -60.66 -57.64 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -61.36 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE2' HD11 ' A' ' 79' ' ' LEU . 43.7 tttt -46.37 -42.77 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.89 -44.67 29.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 21' ' ' VAL . 11.0 tp -63.58 -52.52 60.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HE2' ' A' ' 75' ' ' LYS . 77.0 mt -45.71 -49.97 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.69 -40.8 96.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.19 -36.17 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 23' ' ' VAL . 68.9 t -70.17 -50.06 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -56.08 -33.91 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.49 -51.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.578 0.704 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.87 179.66 3.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.945 HG23 HD11 ' A' ' 71' ' ' LEU . 3.3 m -146.0 152.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -94.54 139.37 31.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 71' ' ' LEU . 21.8 pt -122.13 178.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.48 132.61 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.99 142.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -86.61 107.05 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.048 HG22 HG21 ' A' ' 82' ' ' VAL . 53.3 t -146.55 129.89 8.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.1 Cg_endo -69.75 136.58 33.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.4 t80 -60.4 -12.88 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.69 -11.32 60.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 24' ' ' PRO . 84.5 mt -109.29 -23.98 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 27.9 m170 -41.84 -59.45 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -46.43 -30.55 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -86.35 -31.4 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 39' ' ' ILE . 71.2 t -71.5 -50.84 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.414 HD11 HG12 ' A' ' 31' ' ' VAL . 46.7 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HA ' ' CE ' ' A' ' 43' ' ' MET . 60.1 mtt180 -41.53 -42.01 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.6 -53.18 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 mtm -65.63 -47.36 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 40' ' ' ARG . 60.8 mtm -53.06 -25.2 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.14 -28.71 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -78.73 -55.72 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.05 -7.68 59.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 62.1 27.57 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -107.38 -175.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -132.77 112.91 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.8 mt -97.55 130.11 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -120.03 129.52 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.8 t -110.38 138.85 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.74 135.11 29.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.63 1.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.77 -23.33 30.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.29 -21.17 50.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD12 ' H ' ' A' ' 54' ' ' ALA . 69.9 mt -80.27 -25.82 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 51.26 48.6 22.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -108.44 146.2 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.24 20.63 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mm -120.38 116.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.06 141.42 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.2 127.65 53.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mt -119.22 129.59 75.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.0 m -104.57 138.32 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 174.51 30.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.6 mt -69.05 138.22 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.727 0.299 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.21 -42.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.21 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.2 m-20 -69.33 -48.4 61.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.945 HD11 HG23 ' A' ' 17' ' ' VAL . 14.0 mt -47.8 -42.25 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -50.27 74.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -65.54 -55.59 16.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.8 -59.19 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HD2' HD12 ' A' ' 19' ' ' ILE . 86.2 tttt -45.18 -44.66 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.07 -36.14 70.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.43 -49.01 67.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.7 -52.21 65.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.29 -53.66 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.58 -35.15 80.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.79 -31.73 73.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.048 HG21 HG22 ' A' ' 23' ' ' VAL . 44.7 t -73.61 -47.58 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -61.25 -30.5 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -86.05 -44.69 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG23 ' HD2' ' A' ' 16' ' ' PRO . 4.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.617 0.722 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -145.96 162.73 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 m -102.09 139.88 37.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 71' ' ' LEU . 32.5 pt -121.59 -178.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -128.54 130.05 46.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -125.42 124.21 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -68.26 113.67 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.819 HG22 HG21 ' A' ' 82' ' ' VAL . 52.0 t -151.24 129.77 6.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.736 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.14 -24.5 54.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.18 -9.38 22.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.711 ' CD1' HG13 ' A' ' 82' ' ' VAL . 44.1 mt -104.87 -31.75 9.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CE1' HG13 ' A' ' 52' ' ' VAL . 39.7 m170 -39.63 -63.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -39.42 -38.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.93 -42.84 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -59.09 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 50' ' ' ILE . 77.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 10.4 tpt180 -37.88 -57.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ARG . 28.8 tttt -35.39 -48.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 84.3 mtp -68.06 -55.28 13.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.1 mtm -48.21 -33.63 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -82.67 -48.69 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.47 -59.57 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 48' ' ' VAL . 68.5 m-85 -81.48 9.34 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 41.26 46.5 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 46' ' ' PHE . 15.0 m -127.45 -179.99 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -129.79 114.72 16.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 39' ' ' ILE . 70.5 mt -94.2 131.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.0 126.26 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.8 t -107.82 138.82 20.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.8 142.06 46.76 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.93 160.02 41.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.74 -13.15 34.32 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -82.21 -14.45 55.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -96.62 -19.62 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.48 49.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -104.22 148.33 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.65 22.02 13.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mm -119.81 116.65 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -91.94 141.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.26 123.79 48.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.37 130.77 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 m -102.59 143.88 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 154.38 170.72 20.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.428 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 16' ' ' PRO . 92.4 mt -66.41 141.72 57.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.31 -40.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -53.45 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -61.12 -46.94 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 17' ' ' VAL . 62.7 mt -48.16 -41.71 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.0 -53.62 51.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -58.41 -57.18 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -55.7 -53.11 60.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 79' ' ' LEU . 18.1 tttm -54.28 -49.03 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.43 -20.26 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.04 -43.66 7.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.06 -50.03 63.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 75' ' ' LYS . 74.2 mt -45.79 -44.89 14.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.77 -37.89 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -62.6 -37.16 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.819 HG21 HG22 ' A' ' 23' ' ' VAL . 99.4 t -71.47 -50.97 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -55.04 -38.89 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -49.02 20.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.682 0.754 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.82 179.38 3.77 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.896 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -147.97 155.73 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 m -95.89 146.07 24.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 71' ' ' LEU . 25.6 pt -129.64 -175.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.64 130.94 38.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 64' ' ' ILE . 5.5 t -125.0 121.6 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.7 112.87 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.869 HG22 HG21 ' A' ' 82' ' ' VAL . 73.0 t -150.71 129.97 6.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.77 134.47 28.06 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.726 2.284 . . . . 0.0 112.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.5 t80 -57.05 -24.75 56.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.92 -13.51 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.807 ' CD1' HG13 ' A' ' 82' ' ' VAL . 70.2 mt -102.39 -32.1 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CE1' HG13 ' A' ' 52' ' ' VAL . 51.9 m170 -40.08 -60.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -42.28 -36.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -81.92 -38.73 24.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.56 -60.14 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 41.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 94.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ILE . 9.7 tpt180 -38.18 -45.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -38.72 -54.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.9 mtp -64.29 -60.88 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.9 mtm -43.83 -29.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -88.65 -37.26 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.03 -60.62 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -79.83 11.35 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 36.83 53.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -132.02 177.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -123.72 118.23 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.35 137.43 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -131.01 123.3 28.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 53' ' ' PRO . 55.5 t -105.86 137.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.66 135.69 31.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.05 161.52 2.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.705 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.69 -18.34 37.38 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.45 -21.61 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -85.53 -26.63 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 58.02 38.81 26.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 138.38 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.17 22.93 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.2 mm -120.28 122.73 69.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.9 mt -98.78 138.82 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.86 127.4 47.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 21' ' ' VAL . 8.7 mt -120.13 129.03 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -106.46 141.14 38.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 159.16 176.5 31.28 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ASN . 71.9 mt -67.61 136.15 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.88 -43.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.3 94.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 67' ' ' LEU . 28.3 m-20 -68.47 -49.37 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.896 HD11 HG23 ' A' ' 17' ' ' VAL . 18.5 mt -45.94 -38.34 7.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -56.69 12.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -58.01 -55.68 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -61.88 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -44.47 -39.23 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.38 94.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.52 -38.72 93.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HG11 ' A' ' 21' ' ' VAL . 19.0 tp -70.06 -52.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -43.01 34.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.94 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -64.15 -36.7 84.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.869 HG21 HG22 ' A' ' 23' ' ' VAL . 84.9 t -74.21 -40.83 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.84 -26.75 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -93.2 -32.5 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.84 178.59 4.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -140.82 160.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -96.35 136.81 36.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 64' ' ' ILE . 12.6 pt -117.96 -175.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.49 125.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 78' ' ' LEU . 2.6 t -120.53 133.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.49 115.59 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.954 HG22 HG21 ' A' ' 82' ' ' VAL . 50.7 t -154.36 129.48 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.83 136.05 31.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 20.0 t80 -58.16 -20.89 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -66.65 -11.89 55.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 82' ' ' VAL . 84.1 mt -105.44 -29.7 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 m170 -42.63 -60.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -43.93 -31.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.58 -37.01 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 39' ' ' ILE . 79.5 t -67.66 -62.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 61.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 50' ' ' ILE . 92.5 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.78 -51.41 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 42' ' ' MET . 7.0 tmtt? -43.19 -44.06 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.479 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 62.6 mtp -71.59 -56.24 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 mtm -45.8 -30.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.97 -41.5 14.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.75 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' HB2' HG22 ' A' ' 48' ' ' VAL . 80.0 m-85 -75.69 -5.19 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 54.32 49.73 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 70' ' ' ASN . 6.5 m -132.88 176.89 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -122.47 113.13 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 39' ' ' ILE . 67.3 mt -95.17 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -125.42 127.28 46.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 53' ' ' PRO . 96.6 t -110.2 138.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.74 138.21 37.34 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.22 164.43 6.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.625 0.726 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.9 Cg_endo -69.74 -27.15 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.21 -10.8 60.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.74 -24.78 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 51.68 49.78 20.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -105.01 148.47 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -115.15 19.34 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -119.03 119.9 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.3 mt -95.81 143.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -108.78 129.71 55.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 19' ' ' ILE . 34.0 mt -120.33 121.16 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.3 m -96.15 139.81 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 156.12 173.99 25.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' ASN . 96.9 mt -66.42 138.06 57.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -34.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -71.15 -47.65 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB3' HG13 ' A' ' 48' ' ' VAL . 1.6 m-20 -66.15 -37.89 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -60.72 -35.3 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.67 -56.49 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -57.48 -42.57 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.97 -57.47 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' A' ' 79' ' ' LEU . 35.9 tttp -50.16 -35.72 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.88 64.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 21' ' ' VAL . 15.2 tp -63.17 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.53 HD11 ' HE3' ' A' ' 75' ' ' LYS . 79.3 mt -39.06 -47.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.55 -38.63 77.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 3.6 tpt180 -59.86 -33.58 71.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.954 HG21 HG22 ' A' ' 23' ' ' VAL . 49.6 t -72.94 -45.77 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -59.53 -34.07 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -84.52 -43.03 14.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.655 0.74 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.82 177.33 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.761 HG23 HD11 ' A' ' 71' ' ' LEU . 5.3 m -147.58 149.64 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -93.71 134.54 35.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.7 -179.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -131.43 129.11 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 78' ' ' LEU . 2.5 t -119.78 136.49 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.12 106.26 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.905 HG22 HG21 ' A' ' 82' ' ' VAL . 94.5 t -143.95 127.6 9.02 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 132.9 24.17 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 18.4 t80 -55.27 -29.22 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.41 -18.16 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.18 -30.84 11.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 26.0 m170 -40.91 -58.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -41.33 -38.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 16.8 m-85 -81.85 -40.83 21.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.86 -56.58 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -43.45 -36.65 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -55.25 -42.92 74.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' GLU . 43.5 mtp -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.3 mtm -45.06 -30.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.24 -29.63 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' MET . 5.1 tp10 -81.69 -62.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 86.4 m-85 -76.95 -0.45 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 52.84 48.84 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -130.3 177.42 6.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -123.24 125.64 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.6 mt -112.11 130.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -120.2 123.83 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 86.4 t -104.01 138.64 19.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.3 Cg_endo -69.7 132.46 23.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.78 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.46 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.739 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.78 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.4 Cg_endo -69.74 -30.87 21.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -66.58 -22.98 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.94 -21.37 26.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 47.05 51.16 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -104.62 150.24 24.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.51 20.04 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -118.7 117.73 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.7 mt -92.92 138.45 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.1 128.69 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.08 122.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -99.15 143.09 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 155.81 177.13 28.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 66.2 mt -68.56 136.31 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.8 -41.32 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.75 80.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.5 m-20 -66.66 -45.42 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.4 mt -50.82 -40.61 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -50.33 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.1 mtm180 -64.66 -55.51 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.1 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HE2' HD11 ' A' ' 79' ' ' LEU . 62.0 tttt -45.21 -41.13 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.57 -47.16 58.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.406 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 21' ' ' VAL . 20.2 tp -58.06 -56.03 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 75' ' ' LYS . 67.1 mt -48.99 -45.12 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.81 -35.77 82.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -65.3 -40.4 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.905 HG21 HG22 ' A' ' 23' ' ' VAL . 39.0 t -69.18 -45.51 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -64.55 -30.43 71.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -85.33 -37.82 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.676 0.75 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.73 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.383 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -148.02 153.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 m -97.34 135.73 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 71' ' ' LEU . 34.0 pt -117.83 176.75 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.175 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' OE1' HG21 ' A' ' 61' ' ' ILE . 20.4 mt-10 -126.08 125.37 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.9 t -116.16 124.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.0 106.61 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 82' ' ' VAL . 92.4 t -145.43 133.47 10.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.675 0.75 . . . . 0.0 111.127 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.1 Cg_endo -69.75 137.41 35.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 29.8 t80 -60.87 -16.82 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.48 -16.41 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.89 ' CD1' HG13 ' A' ' 82' ' ' VAL . 69.7 mt -101.27 -26.88 13.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -44.02 -55.23 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -48.31 -33.47 8.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -80.88 -39.88 25.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 39' ' ' ILE . 65.8 t -64.92 -55.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' CG1' HG12 ' A' ' 31' ' ' VAL . 60.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -41.82 -49.49 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -39.28 -56.71 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mtp -58.35 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -44.48 -27.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.53 -28.31 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -85.85 -60.72 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.08 -11.73 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.28 53.6 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.669 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.3 m -134.66 178.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -120.13 119.85 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -108.41 135.68 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -126.08 121.32 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.3 t -102.06 133.58 20.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.87 134.84 28.7 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.05 168.23 4.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.71 -23.19 31.3 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.403 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 -15.9 61.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 49.56 45.59 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 140.62 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.33 23.44 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.521 HG21 ' OE1' ' A' ' 20' ' ' GLU . 3.4 mm -124.71 118.53 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.4 mt -92.12 137.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.55 125.09 46.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.579 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.7 mt -119.58 118.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.5 m -98.84 139.62 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.19 179.07 32.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ALA . 55.5 mt -68.17 135.92 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.26 -26.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -78.85 -44.78 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.669 ' HB3' HG13 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -70.81 -29.18 65.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 68' ' ' ALA . 10.9 mt -70.08 -34.7 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.86 -58.66 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -58.74 -43.9 90.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -53.23 -35.28 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.35 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.42 -40.59 23.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ARG . 12.3 tp -63.86 -58.75 5.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.1 mt -42.15 -49.19 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -69.86 -26.09 64.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tpt180 -75.26 -32.88 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.89 HG13 ' CD1' ' A' ' 27' ' ' LEU . 94.6 t -71.69 -39.93 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -69.93 -32.09 70.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -82.28 -55.67 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.7 Cg_endo -69.75 -178.76 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.56 153.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 m -95.24 132.59 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.482 HD13 ' HB3' ' A' ' 71' ' ' LEU . 37.7 pt -112.99 -179.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.39 126.56 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -119.27 139.18 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -83.67 105.23 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.907 HG22 HG21 ' A' ' 82' ' ' VAL . 79.5 t -142.14 130.93 11.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.742 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.47 25.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.476 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 28.7 t80 -58.35 -17.52 20.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.39 -18.9 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' TYR . 95.9 mt -101.45 -28.25 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 48.5 m170 -37.74 -58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -47.85 -36.98 12.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LEU . 24.4 m-85 -82.63 -28.7 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.32 -51.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.195 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 50' ' ' ILE . 74.8 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -40.49 -41.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -53.91 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -45.04 79.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.1 mtm -55.28 -30.6 60.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -23.85 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -88.23 -61.65 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 48' ' ' VAL . 42.2 m-85 -75.06 -3.35 32.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 50.07 50.41 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' PHE . 14.2 m -128.85 -175.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.15 122.54 35.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 39' ' ' ILE . 73.9 mt -110.04 134.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' ILE . 3.2 m-70 -123.21 142.55 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.8 t -122.68 138.66 29.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 134.92 29.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -59.47 168.26 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.75 -27.02 27.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.61 -34.78 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.8 -27.95 60.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 52.2 54.37 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -110.63 150.33 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.91 25.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.18 117.78 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 51' ' ' HIS . 49.5 mt -94.94 138.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.1 131.57 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 HD22 ' A' ' 78' ' ' LEU . 58.3 mt -122.76 123.22 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -99.03 133.12 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 164.91 169.48 28.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ALA . 79.7 mt -63.15 140.49 58.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.55 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.18 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.99 -51.02 69.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.892 HD11 HG23 ' A' ' 17' ' ' VAL . 18.9 mt -45.35 -39.55 6.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -50.84 72.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.6 mtt180 -64.49 -50.67 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 79' ' ' LEU . 56.7 tttt -46.17 -38.7 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.85 90.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.88 -55.86 10.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 tp -47.13 -54.38 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 ' HE2' ' A' ' 75' ' ' LYS . 78.5 mt -45.95 -61.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HA ' ' HZ2' ' A' ' 83' ' ' LYS . 9.8 mt-10 -49.91 -47.35 52.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 5.2 tpt85 -47.6 -42.51 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.907 HG21 HG22 ' A' ' 23' ' ' VAL . 84.5 t -73.65 -34.5 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HZ2' ' HA ' ' A' ' 80' ' ' GLU . 6.3 mtmp? -70.16 -33.01 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -85.54 -52.12 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 34.6 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.518 0.675 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.7 -175.72 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.768 HG23 HD11 ' A' ' 71' ' ' LEU . 3.8 m -143.29 158.21 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 m -98.04 131.39 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 64' ' ' ILE . 12.9 pt -114.79 -177.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.65 131.31 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -124.95 127.18 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.95 110.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.765 HG22 HG21 ' A' ' 82' ' ' VAL . 83.0 t -146.02 130.82 8.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.06 22.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -56.18 -21.29 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.68 -11.49 54.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 54.5 mt -106.08 -27.96 10.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.611 ' CE1' HG13 ' A' ' 52' ' ' VAL . 27.5 m170 -43.31 -60.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 16.8 ptt180 -47.33 -27.31 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 11.3 m-85 -90.54 -31.63 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' A' ' 39' ' ' ILE . 77.2 t -73.82 -53.18 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.043 HG23 HD12 ' A' ' 50' ' ' ILE . 73.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -52.91 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -44.89 -48.52 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.53 ' HE2' HD11 ' A' ' 50' ' ' ILE . 4.3 mtm -68.9 -36.55 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.0 mtm -65.88 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.14 -38.6 17.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.09 -49.0 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.903 ' O ' HG13 ' A' ' 48' ' ' VAL . 39.4 m-85 -89.85 8.92 29.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 45.8 31.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 46' ' ' PHE . 9.7 m -116.08 177.22 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -131.18 113.37 13.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.043 HD12 HG23 ' A' ' 39' ' ' ILE . 96.9 mt -81.08 148.73 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.4 t-160 -131.06 110.89 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.611 HG13 ' CE1' ' A' ' 28' ' ' HIS . 42.0 t -103.57 134.68 19.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.641 0.734 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.5 Cg_endo -69.69 142.59 48.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.4 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -63.73 163.43 21.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.2 Cg_endo -69.84 -22.07 32.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -78.32 -14.94 59.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.434 HD12 ' H ' ' A' ' 54' ' ' ALA . 66.3 mt -88.06 -27.42 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.54 47.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -113.13 148.59 35.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -116.42 25.28 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -117.83 116.76 52.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -94.68 142.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' HIS . . . -108.87 127.05 53.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 19' ' ' ILE . 27.3 mt -113.57 134.86 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -109.64 134.55 51.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.539 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.19 169.07 23.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASN . 82.3 mt -62.26 140.62 58.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.48 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -77.67 -44.76 27.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 m-20 -69.79 -29.0 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.768 HD11 HG23 ' A' ' 17' ' ' VAL . 19.6 mt -67.9 -30.03 69.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.35 -61.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -59.2 -29.75 67.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -78.7 -53.08 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -57.86 -30.96 66.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.11 96.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.036 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.36 -51.37 56.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 HG11 ' A' ' 21' ' ' VAL . 13.9 tp -55.58 -58.58 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.3 mt -47.28 -54.28 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.78 -27.42 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.88 -40.66 75.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.765 HG21 HG22 ' A' ' 23' ' ' VAL . 93.9 t -68.25 -45.32 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -77.83 -51.67 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.643 0.735 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.76 -177.92 2.1 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 71' ' ' LEU . 2.0 m -144.1 157.06 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.4 m -98.32 132.02 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 71' ' ' LEU . 35.1 pt -116.55 -175.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -133.62 131.34 39.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 78' ' ' LEU . 2.0 t -124.61 137.82 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.83 115.31 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 HG21 ' A' ' 82' ' ' VAL . 96.9 t -154.4 125.12 3.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.547 0.689 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 135.48 30.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 26.0 t80 -57.54 -20.49 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -19.46 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD12 HG13 ' A' ' 82' ' ' VAL . 46.1 mt -98.11 -29.92 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 22.1 m170 -41.65 -54.13 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -43.82 -35.91 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.04 -40.08 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -56.81 -47.73 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 50' ' ' ILE . 44.0 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.794 0.33 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -42.87 -46.71 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -44.47 -53.38 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.48 -34.88 79.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 39.5 mtm -65.49 -36.82 85.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.79 -30.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -74.36 -49.92 20.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 55.5 m-85 -90.51 -7.41 53.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 58.99 45.81 14.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.46 -174.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.1 120.68 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 85.9 mt -102.81 132.33 49.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -122.22 107.61 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.7 t -91.22 138.82 25.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.55 0.69 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.759 2.306 . . . . 0.0 112.301 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.42 168.31 2.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.048 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.77 -22.3 32.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.89 -34.06 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.31 -20.1 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 44.56 47.3 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -99.0 149.58 22.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -114.25 18.54 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -123.92 122.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.23 142.61 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.81 123.51 48.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.6 mt -112.5 126.36 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.3 m -102.12 136.04 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 158.63 170.26 23.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 77.4 mt -61.41 137.35 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.875 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -38.75 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -75.68 -45.52 36.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.4 m-20 -69.5 -32.61 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -64.23 -34.28 77.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.92 -58.2 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.418 ' NH2' ' O ' ' A' ' 46' ' ' PHE . 31.1 ptt180 -60.95 -41.68 96.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -65.97 -58.93 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -50.03 -35.63 25.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.01 81.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.65 -46.53 61.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 21' ' ' VAL . 19.6 tp -60.54 -61.31 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.54 -51.07 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.54 -31.3 72.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.7 tpt180 -68.23 -37.23 80.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.845 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -71.6 -38.46 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -69.54 -39.37 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.16 -48.82 15.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG13 ' HD2' ' A' ' 16' ' ' PRO . 60.3 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.607 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -171.35 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.89 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -146.42 150.73 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -90.72 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 71' ' ' LEU . 14.6 pt -121.52 178.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' HG21 ' A' ' 61' ' ' ILE . 25.2 mt-10 -126.77 124.08 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG11 HD23 ' A' ' 78' ' ' LEU . 12.0 t -116.29 140.48 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.04 106.96 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.963 HG22 HG21 ' A' ' 82' ' ' VAL . 91.0 t -147.05 126.33 6.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.83 136.52 33.01 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 16.5 t80 -55.23 -33.3 62.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.78 -21.66 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 82' ' ' VAL . 56.2 mt -94.92 -33.6 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 30.3 m170 -40.42 -46.79 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -50.97 -39.9 56.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' LEU . 35.9 m-85 -82.96 -40.26 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.98 -58.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.174 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.52 -59.13 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' MET . 6.8 pttm -39.11 -41.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 56.6 mtp -72.36 -50.42 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLU . 76.7 mtm -53.46 -45.86 69.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.66 76.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.7 -55.91 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 52.1 m-85 -89.65 -0.94 57.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' MET . 72.1 mt-10 57.56 34.87 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.37 177.74 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.26 115.13 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -100.21 129.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.2 130.89 56.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.1 t -108.23 138.61 20.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.72 136.54 33.36 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -48.32 163.48 0.3 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.68 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.6 Cg_endo -69.8 -29.22 24.03 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.35 -35.34 80.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.71 -18.24 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' PRO . 2.2 mm-40 38.42 47.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -95.74 159.59 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -119.82 19.8 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 ' OE1' ' A' ' 20' ' ' GLU . 8.1 mm -119.12 111.22 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.3 mt -88.32 143.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.83 120.97 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 21' ' ' VAL . 61.1 mt -114.25 128.35 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.1 m -104.69 139.23 39.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.14 170.36 24.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.412 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.4 mt -63.11 137.86 58.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -41.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -52.48 52.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.69 -48.28 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.89 HD11 HG23 ' A' ' 17' ' ' VAL . 32.3 mt -47.22 -39.69 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.63 -60.18 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 mtp85 -53.47 -55.9 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 21' ' ' VAL . 40.6 tttp -46.53 -42.71 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.5 88.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.69 88.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD23 HG11 ' A' ' 21' ' ' VAL . 14.0 tp -61.36 -55.85 26.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 mt -41.32 -51.58 3.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.27 -41.82 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.07 -37.71 80.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 23' ' ' VAL . 53.8 t -72.81 -39.75 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -68.53 -36.0 78.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.85 -40.97 23.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 16' ' ' PRO . 84.1 t . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.574 0.702 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.77 177.81 5.21 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.619 2.213 . . . . 0.0 112.394 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.899 HG23 HD11 ' A' ' 71' ' ' LEU . 3.5 m -140.82 159.34 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -104.92 132.52 51.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.35 -179.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -124.31 124.56 42.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.2 t -115.58 136.07 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -82.91 97.56 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.787 HG22 HG21 ' A' ' 82' ' ' VAL . 97.4 t -133.11 125.7 19.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.592 0.711 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.77 134.01 26.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.7 t80 -54.42 -30.9 53.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.44 -18.53 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 24' ' ' PRO . 69.3 mt -98.62 -33.07 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 18.6 m170 -39.63 -63.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -40.21 -34.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -84.6 -38.58 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' HIS . 97.0 t -64.87 -53.96 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.853 0.359 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -44.19 -44.43 7.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -47.89 -49.0 31.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.1 mtp -67.11 -61.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.4 mtm -45.95 -34.73 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.0 -33.76 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.96 -62.92 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 88.3 m-85 -75.92 -8.54 57.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 61.45 47.02 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.417 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -125.69 -175.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -131.75 116.21 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -104.91 129.95 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -117.94 126.53 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.4 t -107.24 139.01 20.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.746 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.68 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.4 Cg_endo -69.74 132.6 23.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.63 168.44 0.62 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.058 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.837 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.4 Cg_endo -69.89 -27.57 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.264 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -69.71 -36.1 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 93.0 mt -67.67 -23.34 65.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 49.07 50.73 17.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -114.4 153.81 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -118.8 22.83 11.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -115.56 117.21 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 53.7 mt -94.71 135.83 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.93 42.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.553 ' CD1' HG21 ' A' ' 21' ' ' VAL . 47.3 mt -113.3 123.34 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.2 m -99.93 142.13 31.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.586 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 157.47 172.37 24.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.52 141.4 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.883 0.373 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.56 -41.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.06 25.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -60.37 -52.79 63.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.899 HD11 HG23 ' A' ' 17' ' ' VAL . 30.5 mt -42.05 -43.87 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.92 -55.5 34.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 5.5 mtm180 -58.25 -55.47 34.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.85 -62.28 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HE2' HD11 ' A' ' 79' ' ' LEU . 81.0 tttt -44.26 -42.37 6.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.29 75.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.23 -52.38 52.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.41 -56.76 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.563 HD11 ' HE2' ' A' ' 75' ' ' LYS . 34.6 mt -43.27 -53.39 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -57.6 -41.41 81.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.787 HG21 HG22 ' A' ' 23' ' ' VAL . 96.8 t -66.97 -40.02 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.2 -41.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.38 -54.31 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.562 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.7 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.8 Cg_endo -69.82 -175.09 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 HD11 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -146.93 154.68 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -91.82 123.63 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.661 ' CG2' HD13 ' A' ' 71' ' ' LEU . 24.8 pt -111.96 169.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.74 126.21 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 64' ' ' ILE . 11.6 t -114.37 137.49 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.74 107.69 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 HG21 ' A' ' 82' ' ' VAL . 98.5 t -153.03 127.5 4.6 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.687 0.756 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.7 Cg_endo -69.79 137.34 35.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.406 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 22.8 t80 -58.31 -18.77 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.69 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' CD1' HG13 ' A' ' 82' ' ' VAL . 81.0 mt -102.6 -31.24 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CD2' HD11 ' A' ' 62' ' ' ILE . 55.9 m170 -40.65 -57.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -44.29 -37.27 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.27 -34.21 25.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 HD11 ' A' ' 39' ' ' ILE . 80.4 t -66.98 -57.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 31' ' ' VAL . 19.1 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -43.16 -43.23 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -43.95 -49.89 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLU . 23.3 mtp -67.16 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.9 mtm -39.87 -30.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.97 -34.12 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -70.06 -49.11 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 93.6 m-85 -93.21 -8.04 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 62.12 45.59 6.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 46' ' ' PHE . 2.3 m -126.24 -176.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -129.88 112.99 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 98.2 mt -95.1 134.06 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' ILE . 5.0 m-70 -121.61 129.75 53.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.3 t -109.5 138.0 20.46 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.186 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.3 Cg_endo -69.82 139.63 40.5 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -52.27 165.19 0.53 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.75 -31.1 21.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.54 -34.35 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.83 -21.67 57.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 37.89 52.0 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 148.2 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.22 20.19 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.2 mm -122.28 107.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 51' ' ' HIS . 57.8 mt -84.58 139.34 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.67 44.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.672 ' CD1' HG21 ' A' ' 21' ' ' VAL . 59.8 mt -116.77 129.7 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.4 m -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.64 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.64 178.56 35.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' ALA . 80.0 mt -70.89 136.1 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.96 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -73.95 -51.88 14.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -63.71 -44.05 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.784 HD11 HG23 ' A' ' 17' ' ' VAL . 20.2 mt -51.44 -39.24 57.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.18 -51.55 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 4.2 mtt-85 -63.58 -55.44 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -52.86 -40.06 63.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.84 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.67 -48.79 78.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 82' ' ' VAL . 12.2 tp -60.54 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -50.21 -49.51 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.35 -35.52 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -67.27 -32.87 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.851 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -74.19 -35.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -72.4 -34.44 67.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -27.45 27.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.2 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 121.651 0.739 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.79 178.73 4.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -143.81 153.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 m -94.76 147.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 71' ' ' LEU . 25.9 pt -130.35 -177.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -130.21 122.91 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.612 HG21 HD12 ' A' ' 64' ' ' ILE . 2.5 t -118.35 131.52 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.47 110.66 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 82' ' ' VAL . 99.8 t -146.87 123.91 5.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 132.5 23.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 21.0 t80 -53.65 -31.42 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.34 -19.51 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 82' ' ' VAL . 27.9 mt -97.38 -34.8 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 42.6 m170 -34.77 -58.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -42.74 -43.8 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' LEU . 25.9 m-85 -76.91 -40.51 47.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG12 ' CG1' ' A' ' 39' ' ' ILE . 66.8 t -59.66 -62.61 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 63.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.689 HG23 HD12 ' A' ' 50' ' ' ILE . 83.7 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 1.7 tmt_? -47.79 -45.76 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -48.54 -52.68 21.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . 46.1 mtp -62.01 -63.19 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.443 ' HE2' ' HA ' ' A' ' 40' ' ' ARG . 77.9 mtm -41.43 -47.24 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.27 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -75.38 -62.99 1.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 53.8 m-85 -79.81 4.58 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 48.12 50.42 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 46' ' ' PHE . 11.9 m -128.15 -179.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -125.27 122.57 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG23 ' A' ' 39' ' ' ILE . 90.4 mt -105.57 130.61 56.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.11 118.34 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 53' ' ' PRO . 48.6 t -101.34 137.63 19.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.86 134.63 28.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.74 166.25 1.08 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.0 Cg_endo -69.75 -27.33 26.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.16 -13.07 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 54' ' ' ALA . 23.7 mt -91.72 -22.82 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -109.9 151.43 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.57 20.07 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mm -117.76 116.36 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.4 mt -92.72 136.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.098 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.59 119.09 37.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.612 HD12 HG21 ' A' ' 21' ' ' VAL . 73.6 mt -111.45 124.09 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.7 m -101.64 138.42 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.33 168.61 22.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 mt -62.27 139.02 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.786 0.327 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.37 -39.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.83 -48.46 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 48.7 m-20 -65.67 -46.25 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.922 HD11 HG23 ' A' ' 17' ' ' VAL . 53.2 mt -49.18 -37.52 22.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.11 -65.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -50.65 -43.62 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -66.53 -58.34 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.0 tttt -52.35 -35.07 50.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.81 87.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.24 -44.7 64.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' ARG . 13.8 tp -61.58 -60.44 3.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.685 HD11 ' HE2' ' A' ' 75' ' ' LYS . 52.1 mt -38.58 -48.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -67.29 -39.44 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 6.0 tpt180 -60.29 -39.2 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 23' ' ' VAL . 92.1 t -71.35 -54.63 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -54.63 -39.13 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.79 -46.24 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 91.2 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.83 -176.94 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.743 2.296 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 71' ' ' LEU . 3.7 m -146.18 155.57 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 m -92.57 134.22 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' CG2' HD13 ' A' ' 71' ' ' LEU . 23.4 pt -119.03 169.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -121.19 123.65 42.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 78' ' ' LEU . 5.1 t -116.93 127.34 74.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.28 114.48 9.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG22 HG21 ' A' ' 82' ' ' VAL . 75.8 t -157.02 125.83 3.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.45 35.38 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 27.2 t80 -57.58 -21.75 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.67 -21.47 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.0 mt -101.02 -28.84 12.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 41.2 m170 -39.75 -57.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.5 ptp180 -46.55 -36.24 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -82.89 -27.16 30.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.55 -54.71 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.05 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.338 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -59.36 -50.39 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -41.68 -37.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.4 mtp -81.42 -41.66 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.01 -29.93 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -84.55 -27.04 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.8 -55.07 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 48' ' ' VAL . 52.2 m-85 -86.32 1.47 50.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 49.95 28.75 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 46' ' ' PHE . 28.5 m -106.06 -177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -130.68 119.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.8 mt -100.73 132.68 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -122.24 127.9 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -104.3 138.92 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.672 0.749 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.71 135.95 31.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.99 153.44 3.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.637 0.732 . . . . 0.0 111.065 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.84 31.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.13 -6.71 57.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.4 mt -99.2 -21.34 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 56.33 33.64 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 7.2 t -83.42 136.72 34.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.4 19.78 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.86 120.41 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -90.63 141.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.83 123.27 47.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 21' ' ' VAL . 59.1 mt -116.53 130.0 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.1 m -105.87 137.21 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 162.9 173.03 31.12 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 41.0 mt -66.71 140.3 57.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.26 -43.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.12 76.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -64.84 -49.81 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 HG23 ' A' ' 17' ' ' VAL . 21.4 mt -48.26 -35.08 11.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -44.53 75.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 8.5 mtp180 -69.37 -54.16 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -56.8 -57.32 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -48.36 -47.13 37.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.85 -39.11 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.93 -55.69 10.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 21' ' ' VAL . 19.4 tp -49.29 -55.51 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -47.08 -60.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.32 -33.4 58.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.98 -37.78 88.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.804 HG21 HG22 ' A' ' 23' ' ' VAL . 20.3 t -69.28 -41.06 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.96 -44.11 93.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.15 -34.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.638 0.732 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.8 -178.93 2.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 71' ' ' LEU . 4.8 m -142.08 150.08 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 m -90.64 134.17 34.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 pt -119.55 -175.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -132.02 133.62 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG21 ' CD1' ' A' ' 64' ' ' ILE . 2.0 t -125.87 138.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.64 112.2 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.766 HG22 HG21 ' A' ' 82' ' ' VAL . 91.7 t -151.6 131.35 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.34 23.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -57.79 -13.39 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.5 -12.22 60.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 82' ' ' VAL . 50.6 mt -103.58 -25.45 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -41.6 -60.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -47.0 -31.69 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -86.21 -25.07 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' CG1' ' A' ' 39' ' ' ILE . 49.7 t -78.13 -52.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.797 HG23 HD12 ' A' ' 50' ' ' ILE . 96.7 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.29 42.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -48.36 -43.18 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.503 ' HE2' HD11 ' A' ' 50' ' ' ILE . 41.6 mtp -71.89 -44.07 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.7 mtm -58.87 -24.04 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -34.1 12.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.5 -57.8 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 73' ' ' ARG . 94.0 m-85 -78.1 -2.32 36.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 52.0 52.64 14.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 30.2 m -139.37 176.01 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.99 126.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.797 HD12 HG23 ' A' ' 39' ' ' ILE . 84.2 mt -107.06 136.41 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -121.75 122.35 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.94 130.32 23.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.541 0.686 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.64 68.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -66.57 165.75 22.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.519 0.676 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.72 -30.21 22.82 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.74 2.293 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.99 -20.4 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.58 -14.92 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 38.88 44.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -92.13 143.27 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.97 16.56 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -120.1 107.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -83.05 148.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.32 124.68 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 21' ' ' VAL . 48.5 mt -115.85 128.93 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.7 m -106.46 139.58 40.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.606 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.28 176.98 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASN . 43.8 mt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -38.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.53 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -73.86 -41.12 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.6 mt -55.74 -32.45 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.79 -61.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 13.1 ptt180 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -50.05 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -61.23 -42.71 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.62 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.65 -50.48 11.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.71 -52.49 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.0 mt -46.0 -54.87 7.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.91 -33.86 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 85' ' ' LEU . 5.6 tpt180 -69.72 -33.95 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.766 HG21 HG22 ' A' ' 23' ' ' VAL . 53.0 t -69.81 -54.2 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -54.53 -45.58 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.86 -51.72 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 81' ' ' ARG . 11.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 16' ' ' PRO . 97.9 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.618 0.723 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.81 177.79 5.26 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 71' ' ' LEU . 1.3 m -147.49 165.3 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -105.47 138.9 40.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 21.7 pt -118.56 -178.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -132.83 128.76 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -118.45 135.34 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -81.61 101.2 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.016 HG22 HG21 ' A' ' 82' ' ' VAL . 93.9 t -140.97 133.1 14.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.76 139.94 41.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 6.7 t80 -59.81 -28.3 67.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.4 p30 -61.95 -30.01 70.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 82' ' ' VAL . 30.6 mt -86.35 -24.55 25.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.1 m170 -48.41 -49.74 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 8.7 ptp180 -56.3 -25.55 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 12.5 m-85 -91.41 -31.17 16.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.94 -52.02 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mt . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.853 0.359 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.35 -51.35 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.0 mtm -64.26 -59.29 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.6 mtm -40.82 -29.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.85 -32.09 17.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.617 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -72.69 -48.76 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 76.3 m-85 -89.28 -15.08 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 65.82 42.26 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 16.1 m -122.72 -175.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -125.64 123.03 38.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -112.43 130.71 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' O ' HG23 ' A' ' 62' ' ' ILE . 4.6 m-70 -123.64 129.05 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.0 t -107.26 138.78 19.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.74 133.28 25.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.04 168.45 2.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.8 Cg_endo -69.79 -26.92 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.99 -15.34 62.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 mt -94.78 -26.99 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 50.32 53.91 12.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -111.46 140.44 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.36 19.18 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.56 115.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' HIS . 58.9 mt -92.51 137.08 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.6 131.02 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 52.4 mt -123.69 125.18 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -99.74 140.91 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 156.11 171.08 22.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.19 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.883 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.71 -35.46 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.81 -47.96 64.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 27.6 m-20 -67.3 -41.25 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.0 mt -54.18 -36.59 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.18 -61.52 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.5 -46.76 73.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.31 3.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.719 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.4 tttt -48.15 -33.81 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.65 91.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.52 -37.35 78.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.654 HD23 HG11 ' A' ' 21' ' ' VAL . 12.5 tp -70.06 -52.47 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 75' ' ' LYS . 63.9 mt -50.11 -48.56 53.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -75.11 -36.24 61.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.016 HG21 HG22 ' A' ' 23' ' ' VAL . 53.1 t -72.72 -34.23 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -77.03 -34.97 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -80.62 -41.31 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -140.78 131.42 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -165.81 164.24 18.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.18 153.19 11.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -169.7 124.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -165.7 138.85 4.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.09 66.69 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -87.22 144.8 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -158.48 130.18 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.03 96.73 4.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.5 tt -149.09 129.48 13.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -131.08 119.62 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 172.88 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -111.77 -46.59 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.7 t -78.3 138.73 59.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.674 0.749 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.348 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.827 HG23 HD11 ' A' ' 71' ' ' LEU . 3.0 m -147.06 150.37 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -94.41 137.6 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD13 ' HB3' ' A' ' 71' ' ' LEU . 41.0 pt -120.81 -176.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -130.62 129.0 42.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 64' ' ' ILE . 10.1 t -122.28 132.73 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.14 117.49 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 HG21 ' A' ' 82' ' ' VAL . 85.4 t -154.39 134.33 7.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.578 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 130.08 18.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.5 -18.9 21.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.85 -16.41 63.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 92.0 mt -100.03 -30.9 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.0 m170 -38.93 -64.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -39.85 -35.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -81.32 -34.57 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' HIS . 61.3 t -69.49 -50.74 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.22 -57.31 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.54 175.22 23.21 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 17.6 pt20 -41.97 -46.23 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 12.4 tptt -124.92 -46.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.1 39.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 40' ' ' ARG . 16.8 p -88.57 -55.97 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.11 -46.37 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.16 -35.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 37' ' ' SER . 5.1 tpt180 -50.88 -34.52 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.76 -35.65 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtp -75.42 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 58.8 mtm -45.06 -29.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -62.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -73.41 -6.2 44.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 54.55 53.67 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.2 m -136.4 -178.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -125.9 117.96 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.61 130.92 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -123.68 125.78 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.2 t -102.52 138.76 19.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -57.66 163.52 3.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.73 -31.22 21.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.75 -10.75 59.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.98 -30.43 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 57.46 35.88 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -94.98 140.98 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.58 15.08 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.3 mt -83.11 138.44 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.48 128.31 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 21' ' ' VAL . 21.4 mt -121.42 120.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.2 m -99.38 140.18 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 155.51 175.31 26.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' ASN . 90.8 mt -65.31 135.46 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.87 -34.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.043 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -44.57 75.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -72.69 -37.52 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.3 mt -58.71 -34.23 71.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -58.4 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 1.7 ptp180 -57.21 -43.92 83.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.89 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -50.35 -36.31 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.09 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.07 -44.44 60.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.52 -58.73 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.07 -49.52 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.9 -36.94 81.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 tpt85 -64.76 -35.46 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 27' ' ' LEU . 58.4 t -71.44 -44.6 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -65.55 -35.76 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -78.87 -32.62 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.04 -54.82 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.427 ' HA ' ' CG ' ' A' ' 89' ' ' GLN . 5.5 pt20 -58.4 -42.18 86.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.15 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -87.61 -68.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 4.5 pt20 -47.57 -29.08 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 86' ' ' GLN . 17.6 tp10 -87.09 -40.27 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -56.36 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -54.97 -28.56 52.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.7 -32.29 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.79 -58.18 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -66.61 75.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -91.79 73.55 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 97' ' ' PHE . 30.4 p90 -45.95 99.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 23.8 mtpt -164.34 173.03 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.9 p -60.79 160.68 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 108.9 161.16 19.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.85 11.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -136.46 127.79 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.8 m -69.14 163.42 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -69.8 78.49 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -114.43 125.34 53.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.31 80.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -82.61 127.97 33.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -112.73 167.52 10.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.88 107.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -157.23 146.69 20.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.665 0.269 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -150.13 147.56 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.43 100.44 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -171.7 -176.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 6.5 pt-20 -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.08 143.23 49.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 15' ' ' VAL . 3.6 pp -76.6 -39.47 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 16' ' ' PRO . 11.1 p -87.69 137.24 32.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.8 177.8 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 71' ' ' LEU . 2.6 m -141.59 159.97 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -101.31 134.84 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 pt -123.38 175.07 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -121.27 136.43 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.563 HG11 HD23 ' A' ' 78' ' ' LEU . 20.2 t -129.68 116.32 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -68.01 112.83 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 24' ' ' PRO . 98.0 t -148.46 138.45 12.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.4 Cg_endo -69.67 126.63 13.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 9.4 t80 -53.37 -36.01 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.76 -20.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.691 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.7 mt -96.61 -34.44 11.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 29.8 m170 -37.53 -58.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -45.65 -39.35 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' LEU . 16.8 m-85 -77.73 -41.52 37.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.16 -53.52 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.4 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.03 145.65 18.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -44.46 -49.82 9.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -87.09 -59.97 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.01 55.15 0.17 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' GLY . 2.3 m -96.68 -62.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -34.6 -66.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 mt -54.34 -47.05 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.162 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -50.28 -53.11 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -46.99 -46.16 21.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.0 mtp -66.43 -62.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 70.8 mtm -43.99 -47.74 8.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -36.59 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -67.68 -57.71 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.719 ' O ' HG13 ' A' ' 48' ' ' VAL . 48.6 m-85 -90.11 11.63 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' MET . 4.8 mm-40 41.97 36.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 46' ' ' PHE . 34.6 m -106.75 -176.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -131.93 116.84 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.36 130.67 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -123.32 125.58 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 53' ' ' PRO . 92.9 t -107.49 138.65 20.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.1 Cg_endo -69.72 132.49 23.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -54.99 166.58 0.77 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.8 Cg_endo -69.78 -19.04 36.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 0.0 112.335 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.04 -29.46 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.32 -24.27 59.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 50.85 52.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 144.19 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.76 11.77 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 mm -102.84 109.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -88.36 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.62 128.76 52.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 HG21 ' A' ' 21' ' ' VAL . 69.2 mt -120.42 119.24 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -96.3 136.23 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.406 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 163.03 172.91 31.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 85.9 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.44 -41.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -53.48 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.3 m-20 -59.32 -46.19 89.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.895 HD11 HG23 ' A' ' 17' ' ' VAL . 40.1 mt -48.56 -43.03 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -55.85 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.76 -57.02 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -59.99 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -44.64 -44.68 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.54 -40.86 84.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 HG11 ' A' ' 21' ' ' VAL . 17.5 tp -69.0 -60.05 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -45.25 -46.39 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.43 -40.19 89.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -57.82 -38.41 75.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.691 HG13 ' CD1' ' A' ' 27' ' ' LEU . 95.4 t -69.09 -56.16 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -51.23 -34.42 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.99 -41.29 20.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.06 -55.9 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.533 HE21 HG12 ' A' ' 82' ' ' VAL . 5.7 pt20 -53.4 -44.39 68.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -53.39 -22.84 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -90.27 -70.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -50.07 -18.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 93' ' ' ALA . 8.6 tt0 -89.56 -43.18 10.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -42.53 -52.6 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -57.7 -29.73 64.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -78.64 -44.78 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 tp -49.26 -55.44 12.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.86 139.28 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 m -129.2 114.43 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.19 179.28 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.21 -52.27 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 t -135.14 151.54 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.46 83.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -45.88 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -144.4 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 t -100.21 113.23 25.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -167.56 158.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -173.12 170.83 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.68 105.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -115.24 138.61 50.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -143.48 165.47 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.31 61.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -54.68 -66.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -137.08 146.11 44.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.5 107.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -150.14 142.71 24.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -117.82 110.96 18.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.93 121.93 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 15' ' ' VAL . 4.0 pp -88.0 -39.97 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.8 p -96.04 137.47 21.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 111.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.6 Cg_endo -69.73 179.49 3.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 HD11 ' A' ' 71' ' ' LEU . 4.2 m -145.57 156.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 m -101.29 128.74 47.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -111.69 -175.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -139.08 130.3 26.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.61 149.48 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.11 108.12 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.799 HG22 HG21 ' A' ' 82' ' ' VAL . 97.6 t -147.49 132.58 9.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.079 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.81 135.04 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.15 -19.29 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.5 -11.75 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.726 ' CD1' HG13 ' A' ' 82' ' ' VAL . 91.8 mt -105.19 -30.19 9.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -40.88 -51.67 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -49.03 -37.75 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -82.3 -38.95 23.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.77 -56.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.76 -59.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.17 158.72 25.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -50.35 -49.58 53.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -93.94 -47.61 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.45 33.45 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' GLY . 90.0 p -86.26 -46.43 10.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -34.47 -69.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ARG . 62.1 mt -59.66 -49.44 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' ILE . 1.4 tpm_? -35.3 -48.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -51.56 -50.38 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.2 mtm -62.81 -52.9 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.8 mtm -51.18 -41.74 60.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.16 -46.43 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.58 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 46.7 m-85 -76.9 -0.75 25.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 50.01 47.25 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.3 m -125.81 179.01 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -126.39 115.58 19.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG12 HG23 ' A' ' 64' ' ' ILE . 62.3 mt -102.77 129.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' ILE . 25.4 m-70 -114.39 130.75 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.9 t -109.96 138.69 20.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.8 141.55 45.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.709 2.272 . . . . 0.0 112.316 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -65.97 161.63 53.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.1 Cg_endo -69.75 -18.52 36.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -22.91 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.9 mt -87.08 -21.6 25.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.3 50.7 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -106.19 138.3 42.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.27 19.78 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -119.89 117.22 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' HIS . 62.5 mt -92.76 139.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.55 127.46 53.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 50' ' ' ILE . 16.1 mt -115.91 131.09 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -107.61 137.64 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.31 176.19 32.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' ALA . 92.7 mt -67.24 136.69 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -36.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.02 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 7.9 m-20 -62.55 -44.56 96.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 18.9 mt -50.61 -37.77 42.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.47 -43.86 96.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.6 mtp85 -70.6 -53.74 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -54.46 -57.41 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -48.28 -41.56 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.45 78.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.04 -37.52 82.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.81 -51.8 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -51.36 -48.03 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.11 -26.75 66.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -72.88 -33.85 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.799 HG21 HG22 ' A' ' 23' ' ' VAL . 90.7 t -72.76 -42.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -65.51 -37.48 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.33 -49.56 11.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -50.68 -48.96 58.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -66.52 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -13.4 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -89.59 -61.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.99 -17.84 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 91' ' ' ASP . 6.6 pt-20 -87.35 -39.84 14.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' GLU . 13.7 t70 -35.3 -57.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -63.54 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.63 -57.82 10.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 95' ' ' ARG . 5.7 mt -51.01 -47.98 61.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 94' ' ' LEU . 36.8 ttm180 -36.34 138.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' PHE . 37.1 p -66.04 85.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 m-85 -36.68 141.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.76 108.43 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -77.84 128.97 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.12 164.5 13.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.43 2.32 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.28 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p 38.64 41.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.5 p -145.46 111.45 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -141.88 108.91 5.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -152.3 128.44 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.0 127.57 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -89.19 154.07 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 p -138.02 175.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.02 178.11 27.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -80.14 -178.88 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -161.81 135.64 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.34 109.91 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -156.47 140.2 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -129.42 120.87 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.55 125.42 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 15' ' ' VAL . 4.3 pp -46.41 -40.33 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.587 ' N ' HD12 ' A' ' 14' ' ' LEU . 10.3 p -87.28 137.36 32.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.73 179.26 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.021 HG23 HD11 ' A' ' 71' ' ' LEU . 1.7 m -145.26 152.76 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.5 m -97.81 139.62 33.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -121.93 -177.71 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -129.14 126.32 39.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.6 t -118.82 125.41 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.52 110.14 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 82' ' ' VAL . 55.2 t -150.3 130.86 7.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.74 133.39 25.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 22.7 t80 -57.59 -18.69 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.72 -12.93 61.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' HG2' ' A' ' 24' ' ' PRO . 85.0 mt -104.46 -28.29 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 47.5 m170 -42.77 -61.76 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -44.08 -32.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.29 -32.4 26.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.9 t -74.95 -59.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -47.01 -55.63 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 170.66 17.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.65 131.78 49.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.358 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER 47.37 44.07 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 38.31 50.75 2.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -92.12 -31.26 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -33.14 85.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.456 HG22 ' HG3' ' A' ' 43' ' ' MET . 67.5 mt -89.8 -38.27 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -46.43 -26.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -45.48 78.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 82.8 mtp -68.67 -55.78 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.456 ' HG3' HG22 ' A' ' 39' ' ' ILE . 44.5 mtm -47.56 -28.03 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.95 -42.69 12.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.49 -57.59 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.673 ' O ' HG13 ' A' ' 48' ' ' VAL . 74.9 m-85 -83.04 3.9 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 47.22 42.82 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 46' ' ' PHE . 35.6 m -122.81 -179.51 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.39 115.58 19.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -99.33 133.43 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 62' ' ' ILE . 12.3 m170 -120.3 131.19 54.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -108.9 138.8 20.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.78 137.39 35.31 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -58.58 157.09 20.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.1 Cg_endo -69.89 -11.86 31.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.47 -8.36 53.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -97.2 -26.61 14.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 58.59 37.11 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 4.9 t -90.97 138.73 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -107.39 21.3 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -123.7 116.95 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 51' ' ' HIS . 59.1 mt -90.01 137.19 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.35 126.6 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.663 ' CD1' HG21 ' A' ' 21' ' ' VAL . 50.0 mt -119.47 128.22 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.8 m -104.77 142.54 34.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.561 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.4 169.48 21.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 68' ' ' ALA . 59.8 mt -62.87 138.35 58.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.63 -36.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.94 57.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.8 m-20 -65.44 -45.11 85.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.021 HD11 HG23 ' A' ' 17' ' ' VAL . 23.9 mt -50.25 -35.77 28.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.96 -51.61 60.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 9.6 mtt180 -60.66 -57.64 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -61.36 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE2' HD11 ' A' ' 79' ' ' LEU . 43.7 tttt -46.37 -42.77 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.89 -44.67 29.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 21' ' ' VAL . 11.0 tp -63.58 -52.52 60.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HE2' ' A' ' 75' ' ' LYS . 77.0 mt -45.71 -49.97 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.69 -40.8 96.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.19 -36.17 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 23' ' ' VAL . 68.9 t -70.17 -50.06 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -56.08 -33.91 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.49 -51.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.45 -37.03 46.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -80.69 -22.98 39.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.59 -21.51 30.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 15.7 pt-20 -90.74 -40.59 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 1.1 pp0? -71.87 -16.15 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -90.92 -36.42 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -58.76 -44.84 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 8.5 ptm180 -79.09 -40.39 31.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.43 96.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ARG . 4.5 tp -37.86 -38.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' LEU . 31.1 mtp180 -35.01 -58.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.5 p -96.73 111.91 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -117.2 134.44 54.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -118.92 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.6 m -40.42 -49.79 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.69 146.29 18.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 156.19 64.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.415 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.8 t -103.49 -54.94 2.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -88.61 137.39 32.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -155.73 120.05 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -93.63 154.91 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.68 142.57 12.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -156.16 128.89 7.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -44.14 -56.67 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.49 150.28 10.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -83.76 119.12 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.729 0.299 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -151.17 137.89 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.36 119.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 12' ' ' GLU . 16.4 tp -169.92 159.15 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' H ' HD12 ' A' ' 11' ' ' LEU . 9.6 pt-20 -155.18 136.17 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.47 123.56 9.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.545 ' O ' HD21 ' A' ' 67' ' ' LEU . 68.9 mt -88.04 -62.29 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p -67.95 136.8 92.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.87 179.66 3.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.945 HG23 HD11 ' A' ' 71' ' ' LEU . 3.3 m -146.0 152.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -94.54 139.37 31.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.477 HG12 HD22 ' A' ' 71' ' ' LEU . 21.8 pt -122.13 178.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.48 132.61 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.99 142.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -86.61 107.05 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.048 HG22 HG21 ' A' ' 82' ' ' VAL . 53.3 t -146.55 129.89 8.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.1 Cg_endo -69.75 136.58 33.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.4 t80 -60.4 -12.88 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.69 -11.32 60.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 24' ' ' PRO . 84.5 mt -109.29 -23.98 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 27.9 m170 -41.84 -59.45 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -46.43 -30.55 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -86.35 -31.4 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 39' ' ' ILE . 71.2 t -71.5 -50.84 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.79 -65.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.58 18.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -65.51 -47.6 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -123.92 41.56 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.22 34.09 39.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -91.56 -35.6 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.788 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.24 -48.24 53.95 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.414 HD11 HG12 ' A' ' 31' ' ' VAL . 46.7 mt -76.92 -48.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HA ' ' CE ' ' A' ' 43' ' ' MET . 60.1 mtt180 -41.53 -42.01 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.6 -53.18 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 mtm -65.63 -47.36 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 40' ' ' ARG . 60.8 mtm -53.06 -25.2 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.14 -28.71 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -78.73 -55.72 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.05 -7.68 59.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 62.1 27.57 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -107.38 -175.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -132.77 112.91 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.8 mt -97.55 130.11 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -120.03 129.52 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 98.8 t -110.38 138.85 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.2 Cg_endo -69.74 135.11 29.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.63 1.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.77 -23.33 30.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.29 -21.17 50.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD12 ' H ' ' A' ' 54' ' ' ALA . 69.9 mt -80.27 -25.82 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 51.26 48.6 22.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -108.44 146.2 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.24 20.63 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mm -120.38 116.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.06 141.42 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.2 127.65 53.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mt -119.22 129.59 75.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.0 m -104.57 138.32 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 174.51 30.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 14' ' ' LEU . 74.6 mt -69.05 138.22 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.727 0.299 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.21 -42.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.21 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.2 m-20 -69.33 -48.4 61.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.945 HD11 HG23 ' A' ' 17' ' ' VAL . 14.0 mt -47.8 -42.25 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -50.27 74.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -65.54 -55.59 16.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.8 -59.19 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HD2' HD12 ' A' ' 19' ' ' ILE . 86.2 tttt -45.18 -44.66 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.07 -36.14 70.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.43 -49.01 67.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.7 -52.21 65.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.29 -53.66 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.58 -35.15 80.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.79 -31.73 73.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.048 HG21 HG22 ' A' ' 23' ' ' VAL . 44.7 t -73.61 -47.58 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -61.25 -30.5 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -86.05 -44.69 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.35 -51.34 67.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.58 -35.68 72.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.38 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -90.39 -58.44 2.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.5 OUTLIER -50.07 -27.37 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -88.62 -39.9 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -42.54 -52.13 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -50.09 -34.36 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.35 -39.02 21.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.5 -54.74 37.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 62.59 39.66 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.788 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 t -119.45 98.82 6.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -52.79 120.05 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -141.96 158.14 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.9 t -109.72 136.16 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.57 84.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 114.84 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -66.13 177.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -108.84 174.71 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -126.72 112.24 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -91.14 103.7 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.59 87.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -132.61 105.11 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -84.5 152.18 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -59.66 161.79 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.92 152.12 6.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.49 114.21 3.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -146.29 139.41 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -129.87 119.44 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.8 137.76 20.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -46.39 -40.11 11.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG23 ' HD2' ' A' ' 16' ' ' PRO . 4.7 p -85.07 138.7 36.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.1 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -145.96 162.73 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 m -102.09 139.88 37.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 71' ' ' LEU . 32.5 pt -121.59 -178.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -128.54 130.05 46.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -125.42 124.21 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -68.26 113.67 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.819 HG22 HG21 ' A' ' 82' ' ' VAL . 52.0 t -151.24 129.77 6.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.736 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.14 -24.5 54.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.18 -9.38 22.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.711 ' CD1' HG13 ' A' ' 82' ' ' VAL . 44.1 mt -104.87 -31.75 9.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CE1' HG13 ' A' ' 52' ' ' VAL . 39.7 m170 -39.63 -63.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -39.42 -38.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.93 -42.84 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -59.09 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.89 -49.61 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 82.71 162.72 32.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 47.7 tt0 -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.901 0.381 . . . . 0.0 110.96 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.31 177.21 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.16 38.3 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -94.25 -52.79 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.15 -64.74 1.23 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 50' ' ' ILE . 77.6 mt -59.17 -39.8 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 10.4 tpt180 -37.88 -57.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ARG . 28.8 tttt -35.39 -48.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 84.3 mtp -68.06 -55.28 13.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.1 mtm -48.21 -33.63 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -82.67 -48.69 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.47 -59.57 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 48' ' ' VAL . 68.5 m-85 -81.48 9.34 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 41.26 46.5 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 46' ' ' PHE . 15.0 m -127.45 -179.99 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -129.79 114.72 16.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 39' ' ' ILE . 70.5 mt -94.2 131.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.0 126.26 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.8 t -107.82 138.82 20.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.8 142.06 46.76 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.93 160.02 41.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.74 -13.15 34.32 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -82.21 -14.45 55.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -96.62 -19.62 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.48 49.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -104.22 148.33 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.65 22.02 13.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mm -119.81 116.65 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -91.94 141.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.26 123.79 48.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.37 130.77 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 m -102.59 143.88 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 154.38 170.72 20.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.428 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 16' ' ' PRO . 92.4 mt -66.41 141.72 57.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.31 -40.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -53.45 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -61.12 -46.94 88.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 17' ' ' VAL . 62.7 mt -48.16 -41.71 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.0 -53.62 51.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -58.41 -57.18 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -55.7 -53.11 60.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 79' ' ' LEU . 18.1 tttm -54.28 -49.03 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.43 -20.26 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.04 -43.66 7.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.06 -50.03 63.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 75' ' ' LYS . 74.2 mt -45.79 -44.89 14.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.77 -37.89 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -62.6 -37.16 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.819 HG21 HG22 ' A' ' 23' ' ' VAL . 99.4 t -71.47 -50.97 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 53.6 mtpt -55.04 -38.89 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -49.02 20.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD23 ' OE2' ' A' ' 88' ' ' GLU . 24.1 mt -53.96 -52.13 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 10.3 pt20 -55.7 -18.4 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.3 -42.22 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' OE2' HD23 ' A' ' 85' ' ' LEU . 9.0 pt-20 -73.51 -47.36 41.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 5.7 pt20 -65.46 -20.15 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 8.6 mm-40 -93.91 -46.48 7.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' GLU . 17.4 t70 -34.55 -62.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -40.57 10.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -72.89 -34.6 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 tp -47.39 -47.27 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 41.03 49.66 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.7 p -168.32 124.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -45.9 155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 99' ' ' SER . 0.1 OUTLIER -157.22 142.95 17.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 14.5 m -82.72 54.54 2.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.45 -79.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.95 13.03 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -140.89 124.13 16.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.4 m -94.31 142.53 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.508 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -173.1 125.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -69.17 130.55 42.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.05 130.91 5.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -93.14 147.97 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -95.82 167.08 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.29 92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.01 167.83 5.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -137.39 172.77 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.56 108.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD12 ' H ' ' A' ' 12' ' ' GLU . 15.4 tp -150.48 142.72 24.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' H ' HD12 ' A' ' 11' ' ' LEU . 8.7 pt-20 -129.39 116.22 18.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.08 141.68 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.1 mt -74.22 -44.71 52.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p -79.49 136.95 55.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.754 . . . . 0.0 111.051 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.82 179.38 3.77 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.896 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -147.97 155.73 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 m -95.89 146.07 24.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 71' ' ' LEU . 25.6 pt -129.64 -175.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.64 130.94 38.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 64' ' ' ILE . 5.5 t -125.0 121.6 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.7 112.87 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.869 HG22 HG21 ' A' ' 82' ' ' VAL . 73.0 t -150.71 129.97 6.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.77 134.47 28.06 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.726 2.284 . . . . 0.0 112.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.5 t80 -57.05 -24.75 56.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.92 -13.51 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.807 ' CD1' HG13 ' A' ' 82' ' ' VAL . 70.2 mt -102.39 -32.1 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CE1' HG13 ' A' ' 52' ' ' VAL . 51.9 m170 -40.08 -60.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -42.28 -36.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -81.92 -38.73 24.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.56 -60.14 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 41.8 mt -59.36 -46.21 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.48 -144.39 25.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLY . 13.5 mp0 -49.98 179.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' GLY . 29.4 mttp -46.69 89.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' GLN . . . 34.64 43.51 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 p -98.92 -39.91 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.45 -38.6 86.99 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 32' ' ' ILE . 94.0 mt -77.67 -38.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ILE . 9.7 tpt180 -38.18 -45.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -38.72 -54.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.9 mtp -64.29 -60.88 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.9 mtm -43.83 -29.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -88.65 -37.26 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.03 -60.62 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -79.83 11.35 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 36.83 53.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -132.02 177.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -123.72 118.23 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.35 137.43 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -131.01 123.3 28.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 53' ' ' PRO . 55.5 t -105.86 137.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.66 135.69 31.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.41 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.05 161.52 2.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.705 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.4 Cg_endo -69.69 -18.34 37.38 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.45 -21.61 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -85.53 -26.63 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 58.02 38.81 26.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 138.38 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.17 22.93 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.2 mm -120.28 122.73 69.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.9 mt -98.78 138.82 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.86 127.4 47.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 21' ' ' VAL . 8.7 mt -120.13 129.03 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -106.46 141.14 38.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 159.16 176.5 31.28 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ASN . 71.9 mt -67.61 136.15 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.954 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.88 -43.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.3 94.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 67' ' ' LEU . 28.3 m-20 -68.47 -49.37 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.896 HD11 HG23 ' A' ' 17' ' ' VAL . 18.5 mt -45.94 -38.34 7.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -56.69 12.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -58.01 -55.68 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -61.88 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -44.47 -39.23 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.38 94.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.52 -38.72 93.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HG11 ' A' ' 21' ' ' VAL . 19.0 tp -70.06 -52.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -43.01 34.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.94 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -64.15 -36.7 84.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.869 HG21 HG22 ' A' ' 23' ' ' VAL . 84.9 t -74.21 -40.83 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.84 -26.75 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -93.2 -32.5 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 mt -70.0 -54.68 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.75 -29.55 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.61 -19.7 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.78 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -47.3 -31.78 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 93' ' ' ALA . 4.0 tt0 -85.17 -44.42 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -36.45 -51.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.57 -43.41 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -60.22 -47.66 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 94' ' ' LEU . 3.0 tt -57.18 -31.24 65.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 58.39 34.17 23.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.527 ' HB3' HD22 ' A' ' 94' ' ' LEU . 78.8 p -60.97 133.46 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -94.8 142.92 26.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -149.6 138.09 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.8 p -53.3 96.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.59 167.54 28.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -11.81 31.56 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -68.2 128.59 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.0 m -127.42 149.38 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 40.1 42.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -122.25 155.29 36.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 131.65 4.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -98.61 137.11 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -149.04 -179.8 7.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.95 89.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 125.23 13.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 150.36 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.45 95.19 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.53 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.6 tt -147.78 127.84 13.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -136.82 115.87 12.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.38 142.34 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -113.46 -39.58 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p -96.97 137.38 21.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.84 178.59 4.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -140.82 160.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -96.35 136.81 36.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 64' ' ' ILE . 12.6 pt -117.96 -175.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.49 125.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 78' ' ' LEU . 2.6 t -120.53 133.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.49 115.59 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.954 HG22 HG21 ' A' ' 82' ' ' VAL . 50.7 t -154.36 129.48 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.6 Cg_endo -69.83 136.05 31.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 20.0 t80 -58.16 -20.89 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -66.65 -11.89 55.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 82' ' ' VAL . 84.1 mt -105.44 -29.7 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 m170 -42.63 -60.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -43.93 -31.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.58 -37.01 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 39' ' ' ILE . 79.5 t -67.66 -62.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 61.0 mt -50.53 -59.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.65 178.65 46.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.62 151.95 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 42.54 31.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.5 2.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -97.8 -51.3 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -40.14 -62.81 1.44 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 50' ' ' ILE . 92.5 mt -60.87 -40.76 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.78 -51.41 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 42' ' ' MET . 7.0 tmtt? -43.19 -44.06 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.479 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 62.6 mtp -71.59 -56.24 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 mtm -45.8 -30.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.97 -41.5 14.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.75 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' HB2' HG22 ' A' ' 48' ' ' VAL . 80.0 m-85 -75.69 -5.19 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 54.32 49.73 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 70' ' ' ASN . 6.5 m -132.88 176.89 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -122.47 113.13 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 39' ' ' ILE . 67.3 mt -95.17 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -125.42 127.28 46.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 53' ' ' PRO . 96.6 t -110.2 138.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.74 138.21 37.34 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.22 164.43 6.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.625 0.726 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.9 Cg_endo -69.74 -27.15 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.21 -10.8 60.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.74 -24.78 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 51.68 49.78 20.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -105.01 148.47 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -115.15 19.34 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -119.03 119.9 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.3 mt -95.81 143.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -108.78 129.71 55.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 19' ' ' ILE . 34.0 mt -120.33 121.16 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.3 m -96.15 139.81 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 156.12 173.99 25.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' ASN . 96.9 mt -66.42 138.06 57.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -34.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -71.15 -47.65 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB3' HG13 ' A' ' 48' ' ' VAL . 1.6 m-20 -66.15 -37.89 86.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -60.72 -35.3 75.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.67 -56.49 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -57.48 -42.57 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.97 -57.47 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' A' ' 79' ' ' LEU . 35.9 tttp -50.16 -35.72 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.88 64.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 21' ' ' VAL . 15.2 tp -63.17 -62.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.53 HD11 ' HE3' ' A' ' 75' ' ' LYS . 79.3 mt -39.06 -47.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.55 -38.63 77.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 3.6 tpt180 -59.86 -33.58 71.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.954 HG21 HG22 ' A' ' 23' ' ' VAL . 49.6 t -72.94 -45.77 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -59.53 -34.07 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -84.52 -43.03 14.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.36 -54.7 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -53.68 -30.95 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.64 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -88.8 -61.81 1.62 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -53.75 -26.27 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -82.89 -41.55 18.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -40.22 -43.98 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -58.26 -61.68 2.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.13 -50.8 47.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.4 tp -39.03 -54.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -78.95 108.71 12.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t -50.81 137.46 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -153.62 142.75 21.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -136.21 134.92 38.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -138.62 175.18 9.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.782 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.77 62.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.543 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 154.26 68.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.2 p -127.47 145.05 50.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.5 t -81.51 90.24 6.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -161.01 111.14 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.824 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -137.26 137.65 39.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.05 144.67 5.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -109.82 173.06 6.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -89.79 -52.12 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.59 -151.85 19.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -154.07 136.36 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -170.63 136.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.45 115.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -144.71 131.96 20.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.35 119.27 28.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.54 124.47 15.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD12 ' H ' ' A' ' 14' ' ' LEU . 2.4 mp -65.57 -39.81 92.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.3 p -74.71 137.57 73.75 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.82 177.33 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.761 HG23 HD11 ' A' ' 71' ' ' LEU . 5.3 m -147.58 149.64 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -93.71 134.54 35.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.7 -179.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -131.43 129.11 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 78' ' ' LEU . 2.5 t -119.78 136.49 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.12 106.26 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.905 HG22 HG21 ' A' ' 82' ' ' VAL . 94.5 t -143.95 127.6 9.02 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 132.9 24.17 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 18.4 t80 -55.27 -29.22 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.41 -18.16 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.18 -30.84 11.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 26.0 m170 -40.91 -58.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -41.33 -38.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 16.8 m-85 -81.85 -40.83 21.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.86 -56.58 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -56.87 -53.57 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.31 -167.79 27.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -70.39 135.07 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.389 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mttp 38.4 50.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 40' ' ' ARG . . . 37.68 45.6 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.6 m -72.07 -62.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.04 -43.12 8.51 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.434 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.7 -48.68 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.201 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 39.0 mtp180 -43.45 -36.65 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -55.25 -42.92 74.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' GLU . 43.5 mtp -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.3 mtm -45.06 -30.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.24 -29.63 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' MET . 5.1 tp10 -81.69 -62.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 86.4 m-85 -76.95 -0.45 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 52.84 48.84 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -130.3 177.42 6.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -123.24 125.64 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.6 mt -112.11 130.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -120.2 123.83 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 53' ' ' PRO . 86.4 t -104.01 138.64 19.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.3 Cg_endo -69.7 132.46 23.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.78 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -56.81 166.46 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.739 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.78 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 54.4 Cg_endo -69.74 -30.87 21.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -66.58 -22.98 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.94 -21.37 26.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 47.05 51.16 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -104.62 150.24 24.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.51 20.04 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -118.7 117.73 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.7 mt -92.92 138.45 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.1 128.69 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.08 122.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -99.15 143.09 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' HG12 ' A' ' 48' ' ' VAL . . . 155.81 177.13 28.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 14' ' ' LEU . 66.2 mt -68.56 136.31 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.8 -41.32 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.75 80.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.5 m-20 -66.66 -45.42 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.4 mt -50.82 -40.61 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -50.33 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.1 mtm180 -64.66 -55.51 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.1 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HE2' HD11 ' A' ' 79' ' ' LEU . 62.0 tttt -45.21 -41.13 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.57 -47.16 58.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.406 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 21' ' ' VAL . 20.2 tp -58.06 -56.03 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 75' ' ' LYS . 67.1 mt -48.99 -45.12 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.81 -35.77 82.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -65.3 -40.4 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.905 HG21 HG22 ' A' ' 23' ' ' VAL . 39.0 t -69.18 -45.51 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -64.55 -30.43 71.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -85.33 -37.82 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.21 -52.36 19.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -57.25 -37.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -82.68 -55.94 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.67 -17.09 63.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.53 -37.53 21.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.0 -41.1 64.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -26.67 63.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.35 -49.37 27.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.32 -51.72 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -68.08 128.61 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -123.26 172.86 8.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -39.0 136.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -134.01 141.51 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.0 t 61.23 44.56 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.85 -92.37 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.443 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.2 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.6 p -42.18 114.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 97.5 p -60.65 -46.17 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -132.28 126.74 34.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -53.15 159.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.65 93.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -118.5 108.05 14.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -84.51 173.49 10.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.09 55.2 0.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -108.6 142.0 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.276 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -156.63 130.04 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.01 120.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tp -168.38 152.51 5.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -144.38 131.5 20.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.54 133.45 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -104.47 -36.51 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.9 p -95.14 136.68 22.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.73 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.383 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -148.02 153.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 m -97.34 135.73 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 71' ' ' LEU . 34.0 pt -117.83 176.75 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.175 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' OE1' HG21 ' A' ' 61' ' ' ILE . 20.4 mt-10 -126.08 125.37 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.9 t -116.16 124.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.0 106.61 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 82' ' ' VAL . 92.4 t -145.43 133.47 10.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.675 0.75 . . . . 0.0 111.127 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.1 Cg_endo -69.75 137.41 35.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 29.8 t80 -60.87 -16.82 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.48 -16.41 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.89 ' CD1' HG13 ' A' ' 82' ' ' VAL . 69.7 mt -101.27 -26.88 13.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -44.02 -55.23 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -48.31 -33.47 8.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -80.88 -39.88 25.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 39' ' ' ILE . 65.8 t -64.92 -55.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt -48.99 -42.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 97.46 156.7 30.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 20.3 pt20 -36.74 -40.54 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -126.03 -53.5 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.57 -26.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.9 m -44.96 -25.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -65.79 3.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.45 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' CG1' HG12 ' A' ' 31' ' ' VAL . 60.6 mt -63.75 -41.18 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -41.82 -49.49 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -39.28 -56.71 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mtp -58.35 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -44.48 -27.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.53 -28.31 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -85.85 -60.72 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.08 -11.73 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.28 53.6 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.669 HG13 ' HB3' ' A' ' 70' ' ' ASN . 1.3 m -134.66 178.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -120.13 119.85 34.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -108.41 135.68 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -126.08 121.32 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.3 t -102.06 133.58 20.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.87 134.84 28.7 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -62.05 168.23 4.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.71 -23.19 31.3 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.403 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 -15.9 61.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 49.56 45.59 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 140.62 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.33 23.44 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.521 HG21 ' OE1' ' A' ' 20' ' ' GLU . 3.4 mm -124.71 118.53 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.4 mt -92.12 137.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.55 125.09 46.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.579 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.7 mt -119.58 118.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.5 m -98.84 139.62 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.19 179.07 32.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ALA . 55.5 mt -68.17 135.92 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.26 -26.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -78.85 -44.78 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.669 ' HB3' HG13 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -70.81 -29.18 65.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 68' ' ' ALA . 10.9 mt -70.08 -34.7 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.86 -58.66 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -58.74 -43.9 90.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -53.23 -35.28 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.98 -30.35 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.42 -40.59 23.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ARG . 12.3 tp -63.86 -58.75 5.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.1 mt -42.15 -49.19 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -69.86 -26.09 64.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tpt180 -75.26 -32.88 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.89 HG13 ' CD1' ' A' ' 27' ' ' LEU . 94.6 t -71.69 -39.93 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -69.93 -32.09 70.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 17.4 tt0 -82.28 -55.67 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.9 mt -47.7 -51.75 20.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.466 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 3.0 pt20 -58.45 -31.86 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -60.69 -15.0 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -74.43 -68.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 86' ' ' GLN . 19.3 pm0 -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 7.9 mm-40 -82.72 -25.99 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -57.12 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -61.76 -44.69 96.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.64 -28.97 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -81.72 -67.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 70.77 39.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.7 t -125.73 125.94 43.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 97' ' ' PHE . 3.0 p90 -34.99 121.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -130.14 99.05 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 p -67.65 132.6 47.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.58 -90.92 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 0.88 5.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 m 51.05 38.31 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.3 m -123.32 158.52 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -90.69 109.99 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -52.44 177.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.82 53.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -132.28 148.69 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 p -91.96 -38.32 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.19 117.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -142.19 162.15 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.684 0.278 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -161.88 157.44 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.92 95.06 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.643 ' C ' HD23 ' A' ' 11' ' ' LEU . 4.7 tt -168.67 124.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -129.44 116.89 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.0 118.49 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.5 mp -62.29 -27.06 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.4 p -97.97 134.25 22.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.7 Cg_endo -69.75 -178.76 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.56 153.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 m -95.24 132.59 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.482 HD13 ' HB3' ' A' ' 71' ' ' LEU . 37.7 pt -112.99 -179.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.39 126.56 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -119.27 139.18 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -83.67 105.23 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.907 HG22 HG21 ' A' ' 82' ' ' VAL . 79.5 t -142.14 130.93 11.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.742 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.47 25.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.476 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 28.7 t80 -58.35 -17.52 20.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.39 -18.9 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' TYR . 95.9 mt -101.45 -28.25 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 48.5 m170 -37.74 -58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -47.85 -36.98 12.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LEU . 24.4 m-85 -82.63 -28.7 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.32 -51.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.195 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.94 -54.13 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.85 -173.33 25.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -73.22 -42.5 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLY . 53.4 mttt -124.7 49.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 35.84 46.98 0.93 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.9 m -97.59 -43.33 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.894 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.99 -49.01 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 50' ' ' ILE . 74.8 mt -71.36 -51.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -40.49 -41.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -53.91 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -45.04 79.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.1 mtm -55.28 -30.6 60.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -23.85 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -88.23 -61.65 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 48' ' ' VAL . 42.2 m-85 -75.06 -3.35 32.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 50.07 50.41 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' PHE . 14.2 m -128.85 -175.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.15 122.54 35.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 39' ' ' ILE . 73.9 mt -110.04 134.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' ILE . 3.2 m-70 -123.21 142.55 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.8 t -122.68 138.66 29.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 134.92 29.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -59.47 168.26 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.75 -27.02 27.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.61 -34.78 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.8 -27.95 60.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 52.2 54.37 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -110.63 150.33 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.91 25.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.18 117.78 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 51' ' ' HIS . 49.5 mt -94.94 138.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.1 131.57 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 HD22 ' A' ' 78' ' ' LEU . 58.3 mt -122.76 123.22 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -99.03 133.12 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 164.91 169.48 28.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ALA . 79.7 mt -63.15 140.49 58.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.55 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.18 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.99 -51.02 69.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.892 HD11 HG23 ' A' ' 17' ' ' VAL . 18.9 mt -45.35 -39.55 6.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -50.84 72.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 7.6 mtt180 -64.49 -50.67 66.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 79' ' ' LEU . 56.7 tttt -46.17 -38.7 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.85 90.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.88 -55.86 10.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 tp -47.13 -54.38 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 ' HE2' ' A' ' 75' ' ' LYS . 78.5 mt -45.95 -61.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HA ' ' HZ2' ' A' ' 83' ' ' LYS . 9.8 mt-10 -49.91 -47.35 52.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 5.2 tpt85 -47.6 -42.51 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.907 HG21 HG22 ' A' ' 23' ' ' VAL . 84.5 t -73.65 -34.5 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HZ2' ' HA ' ' A' ' 80' ' ' GLU . 6.3 mtmp? -70.16 -33.01 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -85.54 -52.12 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 34.6 mt -54.62 -49.55 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.07 -35.46 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.7 -29.84 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.95 -62.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -49.97 -34.12 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' ALA . 93.5 mt-10 -79.01 -42.55 26.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 90' ' ' GLU . 32.3 t0 -34.53 -64.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 -46.72 -39.93 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -70.45 -38.41 74.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.25 -25.02 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 46.63 42.64 11.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 t -161.37 166.98 26.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -119.75 121.18 38.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -84.92 -44.42 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.8 t -173.75 139.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.43 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.48 10.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -96.26 148.58 22.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 p -122.67 131.59 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -154.53 105.94 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -47.34 95.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.89 -136.84 12.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -166.36 139.17 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -104.64 134.61 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.14 137.25 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 161.37 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.704 0.288 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -155.16 167.54 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.66 108.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -164.3 140.04 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -124.04 116.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.65 124.46 25.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -98.55 -41.14 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.3 p -97.91 137.17 20.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.7 -175.72 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.768 HG23 HD11 ' A' ' 71' ' ' LEU . 3.8 m -143.29 158.21 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 m -98.04 131.39 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 64' ' ' ILE . 12.9 pt -114.79 -177.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.65 131.31 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -124.95 127.18 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.95 110.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.765 HG22 HG21 ' A' ' 82' ' ' VAL . 83.0 t -146.02 130.82 8.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.06 22.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -56.18 -21.29 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.68 -11.49 54.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 82' ' ' VAL . 54.5 mt -106.08 -27.96 10.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.611 ' CE1' HG13 ' A' ' 52' ' ' VAL . 27.5 m170 -43.31 -60.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 16.8 ptt180 -47.33 -27.31 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 11.3 m-85 -90.54 -31.63 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' A' ' 39' ' ' ILE . 77.2 t -73.82 -53.18 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.99 -61.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.75 150.63 12.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.72 -33.22 46.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.353 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -107.33 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.06 36.77 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.7 p -98.83 -46.77 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.21 -72.82 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.043 HG23 HD12 ' A' ' 50' ' ' ILE . 73.7 mt -56.43 -45.96 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -52.91 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -44.89 -48.52 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.53 ' HE2' HD11 ' A' ' 50' ' ' ILE . 4.3 mtm -68.9 -36.55 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.0 mtm -65.88 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.14 -38.6 17.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.09 -49.0 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.903 ' O ' HG13 ' A' ' 48' ' ' VAL . 39.4 m-85 -89.85 8.92 29.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 45.8 31.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 46' ' ' PHE . 9.7 m -116.08 177.22 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -131.18 113.37 13.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.043 HD12 HG23 ' A' ' 39' ' ' ILE . 96.9 mt -81.08 148.73 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.4 t-160 -131.06 110.89 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.611 HG13 ' CE1' ' A' ' 28' ' ' HIS . 42.0 t -103.57 134.68 19.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.641 0.734 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.5 Cg_endo -69.69 142.59 48.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.4 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -63.73 163.43 21.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.2 Cg_endo -69.84 -22.07 32.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -78.32 -14.94 59.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD12 ' H ' ' A' ' 54' ' ' ALA . 66.3 mt -88.06 -27.42 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.54 47.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -113.13 148.59 35.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -116.42 25.28 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -117.83 116.76 52.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -94.68 142.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' HIS . . . -108.87 127.05 53.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 19' ' ' ILE . 27.3 mt -113.57 134.86 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.5 m -109.64 134.55 51.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.539 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.19 169.07 23.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASN . 82.3 mt -62.26 140.62 58.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.48 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -77.67 -44.76 27.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 m-20 -69.79 -29.0 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.768 HD11 HG23 ' A' ' 17' ' ' VAL . 19.6 mt -67.9 -30.03 69.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.35 -61.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -59.2 -29.75 67.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -78.7 -53.08 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -57.86 -30.96 66.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.11 96.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.036 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.36 -51.37 56.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 HG11 ' A' ' 21' ' ' VAL . 13.9 tp -55.58 -58.58 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.3 mt -47.28 -54.28 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.78 -27.42 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.88 -40.66 75.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.765 HG21 HG22 ' A' ' 23' ' ' VAL . 93.9 t -68.25 -45.32 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -77.83 -51.67 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -53.0 -55.04 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -53.59 -35.77 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 91' ' ' ASP . . . -62.9 -22.75 66.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.21 -71.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -44.0 -27.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ALA . 7.9 tt0 -91.53 -44.61 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -43.24 -43.98 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -30.43 70.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -77.34 -46.61 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' HG2' ' A' ' 95' ' ' ARG . 33.5 tp -63.19 -60.14 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 94' ' ' LEU . 14.6 ptt180 39.1 37.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.3 p -73.03 86.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.6 p90 38.32 39.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HE2' ' CG ' ' A' ' 101' ' ' PRO . 12.2 tptm -69.29 113.77 6.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.5 t -107.35 40.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 52.49 68.55 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' CG ' ' HE2' ' A' ' 98' ' ' LYS . 53.8 Cg_endo -69.73 -21.03 34.18 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.252 . . . . 0.0 112.376 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.2 p -158.15 164.38 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 m -104.6 147.36 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.411 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -150.93 114.45 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 p -96.21 178.69 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.33 113.54 0.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -157.57 139.8 14.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -133.03 147.17 52.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.52 49.45 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -64.04 149.2 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -124.91 145.24 49.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.98 93.29 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.2 tt -139.54 131.59 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.99 118.87 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.66 136.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -106.94 -38.86 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.2 p -96.11 135.89 22.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.76 -177.92 2.1 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 71' ' ' LEU . 2.0 m -144.1 157.06 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.4 m -98.32 132.02 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 71' ' ' LEU . 35.1 pt -116.55 -175.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -133.62 131.34 39.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 78' ' ' LEU . 2.0 t -124.61 137.82 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.83 115.31 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 HG21 ' A' ' 82' ' ' VAL . 96.9 t -154.4 125.12 3.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.547 0.689 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 135.48 30.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 26.0 t80 -57.54 -20.49 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -19.46 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD12 HG13 ' A' ' 82' ' ' VAL . 46.1 mt -98.11 -29.92 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 22.1 m170 -41.65 -54.13 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -43.82 -35.91 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.04 -40.08 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -56.81 -47.73 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -71.4 -30.6 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.68 -176.03 54.74 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.448 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -42.55 -58.56 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.53 -64.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.7 29.82 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.56 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -89.12 -21.24 23.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.956 0.408 . . . . 0.0 110.865 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.34 -35.88 77.3 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 50' ' ' ILE . 44.0 mt -84.14 -48.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -42.87 -46.71 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -44.47 -53.38 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.5 mtm -64.48 -34.88 79.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 39.5 mtm -65.49 -36.82 85.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.79 -30.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -74.36 -49.92 20.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 55.5 m-85 -90.51 -7.41 53.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 58.99 45.81 14.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.46 -174.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.1 120.68 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 85.9 mt -102.81 132.33 49.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -122.22 107.61 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 91.7 t -91.22 138.82 25.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.55 0.69 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.759 2.306 . . . . 0.0 112.301 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.42 168.31 2.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.048 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.77 -22.3 32.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.89 -34.06 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.31 -20.1 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 44.56 47.3 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -99.0 149.58 22.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -114.25 18.54 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -123.92 122.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.23 142.61 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -106.81 123.51 48.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' CD1' HG21 ' A' ' 21' ' ' VAL . 19.6 mt -112.5 126.36 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.3 m -102.12 136.04 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 158.63 170.26 23.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 77.4 mt -61.41 137.35 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.875 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -38.75 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -75.68 -45.52 36.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.4 m-20 -69.5 -32.61 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 68' ' ' ALA . 13.5 mt -64.23 -34.28 77.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.92 -58.2 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' NH2' ' O ' ' A' ' 46' ' ' PHE . 31.1 ptt180 -60.95 -41.68 96.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -65.97 -58.93 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -50.03 -35.63 25.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.01 81.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.65 -46.53 61.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 21' ' ' VAL . 19.6 tp -60.54 -61.31 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.54 -51.07 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.54 -31.3 72.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.7 tpt180 -68.23 -37.23 80.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.845 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -71.6 -38.46 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -69.54 -39.37 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.16 -48.82 15.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.8 mt -53.77 -55.64 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -55.93 -26.31 47.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.91 -22.48 56.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -90.05 -41.5 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -75.47 -20.48 58.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -92.71 -24.84 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.56 -53.25 60.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.9 -28.15 34.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.26 -39.11 23.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 94' ' ' LEU . 2.9 tt -72.87 -28.04 62.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 55.58 52.25 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.48 ' HB2' HD22 ' A' ' 94' ' ' LEU . 3.6 t -97.88 149.65 22.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.77 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -75.42 79.98 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -135.91 135.51 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.0 m -94.06 177.48 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.79 145.49 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -174.38 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.7 p -173.43 153.36 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 p -114.62 17.1 17.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -105.08 -47.38 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -95.56 91.25 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.68 41.73 1.62 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -71.9 119.26 15.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -141.1 128.03 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.46 148.69 1.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 157.39 43.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -152.71 158.92 43.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.82 19.15 20.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tp -161.13 132.14 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.01 131.47 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.4 168.15 22.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -119.94 -40.41 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG13 ' HD2' ' A' ' 16' ' ' PRO . 60.3 t -96.85 137.88 21.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.607 ' HD2' HG13 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -171.35 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.89 HG23 HD11 ' A' ' 71' ' ' LEU . 2.2 m -146.42 150.73 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -90.72 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 71' ' ' LEU . 14.6 pt -121.52 178.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' HG21 ' A' ' 61' ' ' ILE . 25.2 mt-10 -126.77 124.08 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG11 HD23 ' A' ' 78' ' ' LEU . 12.0 t -116.29 140.48 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.04 106.96 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.963 HG22 HG21 ' A' ' 82' ' ' VAL . 91.0 t -147.05 126.33 6.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.83 136.52 33.01 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 16.5 t80 -55.23 -33.3 62.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.78 -21.66 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 82' ' ' VAL . 56.2 mt -94.92 -33.6 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 30.3 m170 -40.42 -46.79 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -50.97 -39.9 56.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' LEU . 35.9 m-85 -82.96 -40.26 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.98 -58.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.174 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.6 mt -58.06 -61.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.7 -168.23 46.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.55 128.4 35.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.981 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' GLY . 15.5 mmtm 38.74 52.61 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.4 67.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.2 p -90.64 -60.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' CG ' ' A' ' 41' ' ' LYS . . . -48.16 -35.37 13.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -76.19 -37.01 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.52 -59.13 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 6.8 pttm -39.11 -41.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 56.6 mtp -72.36 -50.42 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLU . 76.7 mtm -53.46 -45.86 69.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.66 76.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.7 -55.91 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 52.1 m-85 -89.65 -0.94 57.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' MET . 72.1 mt-10 57.56 34.87 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.37 177.74 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.26 115.13 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -100.21 129.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.2 130.89 56.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 53' ' ' PRO . 84.1 t -108.23 138.61 20.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 111.182 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.72 136.54 33.36 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -48.32 163.48 0.3 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.68 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.6 Cg_endo -69.8 -29.22 24.03 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.35 -35.34 80.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.71 -18.24 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' PRO . 2.2 mm-40 38.42 47.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -95.74 159.59 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -119.82 19.8 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 ' OE1' ' A' ' 20' ' ' GLU . 8.1 mm -119.12 111.22 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.3 mt -88.32 143.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.83 120.97 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 21' ' ' VAL . 61.1 mt -114.25 128.35 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.1 m -104.69 139.23 39.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.14 170.36 24.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.412 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.4 mt -63.11 137.86 58.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.16 -41.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.5 -52.48 52.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.69 -48.28 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.89 HD11 HG23 ' A' ' 17' ' ' VAL . 32.3 mt -47.22 -39.69 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.63 -60.18 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 mtp85 -53.47 -55.9 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.85 -62.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 21' ' ' VAL . 40.6 tttp -46.53 -42.71 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.5 88.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.69 88.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD23 HG11 ' A' ' 21' ' ' VAL . 14.0 tp -61.36 -55.85 26.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 mt -41.32 -51.58 3.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.27 -41.82 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.07 -37.71 80.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 23' ' ' VAL . 53.8 t -72.81 -39.75 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -68.53 -36.0 78.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.85 -40.97 23.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.1 -57.05 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 5.8 pt20 -51.07 -44.46 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -52.63 -32.11 40.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -86.59 -72.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 3.5 pt20 -39.15 -33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.2 -48.02 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -43.92 -44.07 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 93' ' ' ALA . 15.8 ptm180 -71.94 -39.26 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 92' ' ' ARG . . . -58.64 -46.62 86.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.76 -45.84 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 64.86 43.15 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -87.23 41.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -91.56 131.25 37.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' SER . 20.5 ttpp -125.76 149.53 48.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' LYS . 5.3 t -36.96 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.98 164.25 28.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -43.57 2.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.615 2.21 . . . . 0.0 112.418 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.1 p -136.76 144.16 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.9 p -110.92 90.88 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -113.28 42.03 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -158.02 118.81 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.94 52.21 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -154.39 142.99 20.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -130.51 151.84 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.06 127.27 4.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -125.2 -56.54 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -129.21 163.16 26.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.02 118.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.1 tp -153.14 139.43 18.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -147.32 133.55 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . -174.88 122.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.751 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.0 mp -36.43 -44.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 16' ' ' PRO . 84.1 t -80.11 138.62 52.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.7 Cg_endo -69.77 177.81 5.21 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.619 2.213 . . . . 0.0 112.394 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.899 HG23 HD11 ' A' ' 71' ' ' LEU . 3.5 m -140.82 159.34 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -104.92 132.52 51.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.35 -179.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -124.31 124.56 42.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 64' ' ' ILE . 3.2 t -115.58 136.07 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -82.91 97.56 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.787 HG22 HG21 ' A' ' 82' ' ' VAL . 97.4 t -133.11 125.7 19.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.592 0.711 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HG2' HD12 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.77 134.01 26.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 28.7 t80 -54.42 -30.9 53.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.44 -18.53 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 24' ' ' PRO . 69.3 mt -98.62 -33.07 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 25' ' ' PHE . 18.6 m170 -39.63 -63.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -40.21 -34.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -84.6 -38.58 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' HIS . 97.0 t -64.87 -53.96 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.98 -52.48 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 -171.72 28.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -74.83 -57.83 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -112.61 49.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.21 48.11 6.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.445 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' GLY . 47.6 t -97.69 -59.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.11 -43.67 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.531 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.6 -44.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -44.19 -44.43 7.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -47.89 -49.0 31.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.1 mtp -67.11 -61.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.4 mtm -45.95 -34.73 4.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.0 -33.76 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.96 -62.92 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 73' ' ' ARG . 88.3 m-85 -75.92 -8.54 57.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 61.45 47.02 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG12 ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -125.69 -175.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -131.75 116.21 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -104.91 129.95 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -117.94 126.53 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.4 t -107.24 139.01 20.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.746 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.68 ' HD2' HG13 ' A' ' 52' ' ' VAL . 54.4 Cg_endo -69.74 132.6 23.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.63 168.44 0.62 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.058 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.837 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.4 Cg_endo -69.89 -27.57 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.264 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -69.71 -36.1 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 93.0 mt -67.67 -23.34 65.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 49.07 50.73 17.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -114.4 153.81 29.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -118.8 22.83 11.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -115.56 117.21 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 53.7 mt -94.71 135.83 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.93 42.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.553 ' CD1' HG21 ' A' ' 21' ' ' VAL . 47.3 mt -113.3 123.34 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.2 m -99.93 142.13 31.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.586 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 157.47 172.37 24.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.52 141.4 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.883 0.373 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -37.56 -41.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.06 25.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -60.37 -52.79 63.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.899 HD11 HG23 ' A' ' 17' ' ' VAL . 30.5 mt -42.05 -43.87 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.92 -55.5 34.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 5.5 mtm180 -58.25 -55.47 34.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.85 -62.28 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HE2' HD11 ' A' ' 79' ' ' LEU . 81.0 tttt -44.26 -42.37 6.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.29 75.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.23 -52.38 52.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.41 -56.76 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.563 HD11 ' HE2' ' A' ' 75' ' ' LYS . 34.6 mt -43.27 -53.39 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -57.6 -41.41 81.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.787 HG21 HG22 ' A' ' 23' ' ' VAL . 96.8 t -66.97 -40.02 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.2 -41.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.2 tp10 -71.38 -54.31 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.1 mt -47.65 -59.75 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' GLU . 4.2 pt20 -50.79 -43.91 58.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -50.8 -30.48 14.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.66 -71.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -44.66 -24.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 86' ' ' GLN . 38.8 tt0 -88.17 -39.28 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 87' ' ' ALA . 11.8 m-20 -42.19 -55.68 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -56.37 -31.22 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.15 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.18 -26.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -62.3 139.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.0 p 41.91 39.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -138.24 130.25 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.473 ' HE2' ' N ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -61.66 131.35 49.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 t -89.44 -56.57 3.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.45 146.24 4.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.0 Cg_endo -69.85 2.87 3.19 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.2 m -34.6 -57.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.4 p -96.03 -48.92 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.463 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -108.77 87.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.09 115.44 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.04 122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -82.24 98.69 8.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -141.01 113.51 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.9 144.52 11.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -120.63 151.87 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.313 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -155.43 132.82 11.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.72 109.25 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -147.11 134.12 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -128.48 118.46 23.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.18 117.12 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD12 ' H ' ' A' ' 14' ' ' LEU . 3.4 mp -69.95 -49.0 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG23 ' HD2' ' A' ' 16' ' ' PRO . 5.7 p -72.22 136.32 81.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.8 Cg_endo -69.82 -175.09 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 HD11 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -146.93 154.68 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -91.82 123.63 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.661 ' CG2' HD13 ' A' ' 71' ' ' LEU . 24.8 pt -111.96 169.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.74 126.21 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 64' ' ' ILE . 11.6 t -114.37 137.49 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.74 107.69 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG22 HG21 ' A' ' 82' ' ' VAL . 98.5 t -153.03 127.5 4.6 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.687 0.756 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' HD12 ' A' ' 27' ' ' LEU . 54.7 Cg_endo -69.79 137.34 35.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.406 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 22.8 t80 -58.31 -18.77 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.69 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' CD1' HG13 ' A' ' 82' ' ' VAL . 81.0 mt -102.6 -31.24 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CD2' HD11 ' A' ' 62' ' ' ILE . 55.9 m170 -40.65 -57.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -44.29 -37.27 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.27 -34.21 25.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG12 HD11 ' A' ' 39' ' ' ILE . 80.4 t -66.98 -57.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -54.03 -61.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.8 -179.16 23.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -74.97 -34.62 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 36' ' ' GLY . 13.5 tttt -129.53 43.62 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 37.08 43.54 0.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m -98.99 -47.77 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.836 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.19 -41.97 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 31' ' ' VAL . 19.1 mt -74.12 -46.58 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -43.16 -43.23 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -43.95 -49.89 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' GLU . 23.3 mtp -67.16 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.9 mtm -39.87 -30.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.97 -34.12 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -70.06 -49.11 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 93.6 m-85 -93.21 -8.04 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 62.12 45.59 6.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 46' ' ' PHE . 2.3 m -126.24 -176.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -129.88 112.99 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 98.2 mt -95.1 134.06 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' ILE . 5.0 m-70 -121.61 129.75 53.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 53' ' ' PRO . 89.3 t -109.5 138.0 20.46 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.186 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.3 Cg_endo -69.82 139.63 40.5 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.748 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -52.27 165.19 0.53 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.7 Cg_endo -69.75 -31.1 21.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.54 -34.35 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.83 -21.67 57.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 37.89 52.0 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 148.2 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.22 20.19 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.2 mm -122.28 107.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 51' ' ' HIS . 57.8 mt -84.58 139.34 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.26 122.67 44.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.672 ' CD1' HG21 ' A' ' 21' ' ' VAL . 59.8 mt -116.77 129.7 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.4 m -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.64 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 161.64 178.56 35.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 14' ' ' LEU . 80.0 mt -70.89 136.1 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.96 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -73.95 -51.88 14.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -63.71 -44.05 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.784 HD11 HG23 ' A' ' 17' ' ' VAL . 20.2 mt -51.44 -39.24 57.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.18 -51.55 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 4.2 mtt-85 -63.58 -55.44 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -52.86 -40.06 63.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.84 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.67 -48.79 78.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 82' ' ' VAL . 12.2 tp -60.54 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -50.21 -49.51 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.35 -35.52 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -67.27 -32.87 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.851 HG21 HG22 ' A' ' 23' ' ' VAL . 89.1 t -74.19 -35.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -72.4 -34.44 67.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -27.45 27.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.31 -57.53 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.9 pt20 -61.69 -45.14 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.61 -72.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -46.3 -23.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 6.3 mm-40 -91.37 -33.48 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -43.62 -37.34 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -66.75 -59.33 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.16 -23.04 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -77.12 -50.63 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -66.08 -27.19 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -97.69 109.24 22.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.16 170.7 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -52.29 139.56 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -40.34 121.84 1.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.36 83.14 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.66 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.314 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.3 p -65.74 172.1 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -68.65 145.03 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 p -45.39 149.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -72.99 135.54 44.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 120.4 5.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -173.74 120.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.91 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -69.94 -50.73 39.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.71 46.86 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -56.38 106.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 6.2 mt-10 -147.78 148.4 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 9' ' ' GLU . . . 73.36 25.02 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -148.16 141.9 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -143.83 130.22 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.34 167.65 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 14' ' ' LEU . 3.1 pp -122.31 -34.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.2 t -70.85 138.83 85.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.739 . . . . 0.0 111.164 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.2 Cg_endo -69.79 178.73 4.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 71' ' ' LEU . 3.2 m -143.81 153.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 m -94.76 147.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 71' ' ' LEU . 25.9 pt -130.35 -177.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -130.21 122.91 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.612 HG21 HD12 ' A' ' 64' ' ' ILE . 2.5 t -118.35 131.52 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.47 110.66 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 82' ' ' VAL . 99.8 t -146.87 123.91 5.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 132.5 23.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 21.0 t80 -53.65 -31.42 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.34 -19.51 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 82' ' ' VAL . 27.9 mt -97.38 -34.8 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 42.6 m170 -34.77 -58.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -42.74 -43.8 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' LEU . 25.9 m-85 -76.91 -40.51 47.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG12 ' CG1' ' A' ' 39' ' ' ILE . 66.8 t -59.66 -62.61 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . 63.2 mt -49.47 -43.75 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.8 -177.18 52.32 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -52.8 -60.64 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLY . 8.0 tmtm? -131.74 79.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.76 44.24 0.46 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.9 m -95.76 -59.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.16 -40.73 4.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.689 HG23 HD12 ' A' ' 50' ' ' ILE . 83.7 mt -79.95 -40.74 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 1.7 tmt_? -47.79 -45.76 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -48.54 -52.68 21.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . 46.1 mtp -62.01 -63.19 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.443 ' HE2' ' HA ' ' A' ' 40' ' ' ARG . 77.9 mtm -41.43 -47.24 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.27 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 4.5 tp10 -75.38 -62.99 1.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 53.8 m-85 -79.81 4.58 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 48.12 50.42 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 46' ' ' PHE . 11.9 m -128.15 -179.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -125.27 122.57 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG23 ' A' ' 39' ' ' ILE . 90.4 mt -105.57 130.61 56.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.11 118.34 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 53' ' ' PRO . 48.6 t -101.34 137.63 19.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.86 134.63 28.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -55.74 166.25 1.08 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.0 Cg_endo -69.75 -27.33 26.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.16 -13.07 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 54' ' ' ALA . 23.7 mt -91.72 -22.82 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -109.9 151.43 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.57 20.07 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mm -117.76 116.36 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.4 mt -92.72 136.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.098 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.59 119.09 37.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.612 HD12 HG21 ' A' ' 21' ' ' VAL . 73.6 mt -111.45 124.09 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.7 m -101.64 138.42 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.497 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 160.33 168.61 22.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' ASN . 40.4 mt -62.27 139.02 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.786 0.327 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.37 -39.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.83 -48.46 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 48.7 m-20 -65.67 -46.25 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.922 HD11 HG23 ' A' ' 17' ' ' VAL . 53.2 mt -49.18 -37.52 22.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.11 -65.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -50.65 -43.62 57.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . . . -66.53 -58.34 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.0 tttt -52.35 -35.07 50.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.81 87.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.24 -44.7 64.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' ARG . 13.8 tp -61.58 -60.44 3.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.685 HD11 ' HE2' ' A' ' 75' ' ' LYS . 52.1 mt -38.58 -48.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -67.29 -39.44 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 6.0 tpt180 -60.29 -39.2 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 23' ' ' VAL . 92.1 t -71.35 -54.63 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -54.63 -39.13 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.79 -46.24 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.2 mt -54.86 -58.7 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 5.2 pt20 -51.71 -46.13 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 86' ' ' GLN . . . -54.2 -28.66 42.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' GLU . 76.1 mm-40 -90.17 -71.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -40.29 -27.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 91' ' ' ASP . 7.0 tp10 -83.16 -45.26 14.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 90' ' ' GLU . 43.2 t0 -35.49 -39.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -61.39 -61.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.44 -54.26 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.4 tp -40.76 -40.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -86.84 98.55 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -128.51 141.11 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -38.63 109.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLY . 8.8 tppt? -89.82 141.48 28.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -48.2 91.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . . . 46.39 86.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 103.29 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 m -52.36 133.18 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -43.95 150.44 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.537 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -145.96 113.25 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -63.39 -40.34 96.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.64 79.37 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.74 93.2 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -120.51 115.02 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.3 59.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.547 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.8 mptt -111.96 153.96 25.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.37 108.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.74 101.69 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' C ' HD23 ' A' ' 11' ' ' LEU . 4.2 tt -155.14 133.88 12.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -138.45 123.35 18.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.81 123.88 12.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.8 mt -57.71 -47.98 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 16' ' ' PRO . 91.2 t -82.51 138.81 44.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.83 -176.94 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.743 2.296 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 71' ' ' LEU . 3.7 m -146.18 155.57 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 m -92.57 134.22 35.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' CG2' HD13 ' A' ' 71' ' ' LEU . 23.4 pt -119.03 169.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -121.19 123.65 42.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 78' ' ' LEU . 5.1 t -116.93 127.34 74.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.28 114.48 9.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG22 HG21 ' A' ' 82' ' ' VAL . 75.8 t -157.02 125.83 3.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.45 35.38 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 27.2 t80 -57.58 -21.75 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.67 -21.47 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 82' ' ' VAL . 74.0 mt -101.02 -28.84 12.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 41.2 m170 -39.75 -57.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.5 ptp180 -46.55 -36.24 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -82.89 -27.16 30.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.55 -54.71 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -64.25 -38.19 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.35 -156.16 36.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -91.09 -46.3 8.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' GLY . 21.3 mtpp -121.89 52.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 34.84 40.85 0.22 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -88.91 -49.92 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 41' ' ' LYS . . . -54.41 -30.68 49.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt -85.08 -33.22 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -59.36 -50.39 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 7.2 pttp -41.68 -37.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.4 mtp -81.42 -41.66 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.01 -29.93 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -84.55 -27.04 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.8 -55.07 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 48' ' ' VAL . 52.2 m-85 -86.32 1.47 50.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 49.95 28.75 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 46' ' ' PHE . 28.5 m -106.06 -177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -130.68 119.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.8 mt -100.73 132.68 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -122.24 127.9 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 53' ' ' PRO . 99.2 t -104.3 138.92 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.672 0.749 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.71 135.95 31.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.99 153.44 3.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.637 0.732 . . . . 0.0 111.065 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.84 31.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.13 -6.71 57.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.4 mt -99.2 -21.34 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 56.33 33.64 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 7.2 t -83.42 136.72 34.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.4 19.78 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.86 120.41 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -90.63 141.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.83 123.27 47.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 21' ' ' VAL . 59.1 mt -116.53 130.0 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.1 m -105.87 137.21 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 162.9 173.03 31.12 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 41.0 mt -66.71 140.3 57.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.26 -43.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.12 76.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -64.84 -49.81 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 HG23 ' A' ' 17' ' ' VAL . 21.4 mt -48.26 -35.08 11.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -44.53 75.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . 8.5 mtp180 -69.37 -54.16 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -56.8 -57.32 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -48.36 -47.13 37.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.85 -39.11 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.93 -55.69 10.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 21' ' ' VAL . 19.4 tp -49.29 -55.51 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -47.08 -60.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.32 -33.4 58.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.98 -37.78 88.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.804 HG21 HG22 ' A' ' 23' ' ' VAL . 20.3 t -69.28 -41.06 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.96 -44.11 93.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.15 -34.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.22 -37.86 78.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 2.0 pt20 -75.88 -26.3 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.93 28.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' GLN . 9.0 pt-20 -82.21 -44.62 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 3.3 pt20 -70.14 -23.29 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 86' ' ' GLN . 27.3 mm-40 -91.76 -38.07 12.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' GLU . 7.5 t0 -38.22 -56.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -51.94 -36.21 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' GLU . . . -73.7 -42.42 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 43.94 54.42 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' PHE . 35.9 t -133.92 84.32 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.3 p90 -37.61 139.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -117.19 106.11 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.4 t -89.0 139.81 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -122.44 150.89 16.9 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 149.68 67.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.3 t -98.77 141.69 31.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.7 t -102.14 -45.63 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -105.42 131.56 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -106.62 144.02 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.99 113.83 1.13 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -110.06 165.91 11.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -85.8 176.13 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.5 113.66 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -149.58 162.21 40.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -166.64 128.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.35 21.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 tp -121.75 126.7 49.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -119.71 115.6 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.58 159.63 41.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 15' ' ' VAL . 4.3 pp -91.45 -37.83 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.2 p -72.04 136.42 82.23 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.638 0.732 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.8 -178.93 2.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG23 HD11 ' A' ' 71' ' ' LEU . 4.8 m -142.08 150.08 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 m -90.64 134.17 34.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 pt -119.55 -175.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -132.02 133.62 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG21 ' CD1' ' A' ' 64' ' ' ILE . 2.0 t -125.87 138.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.64 112.2 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.766 HG22 HG21 ' A' ' 82' ' ' VAL . 91.7 t -151.6 131.35 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.34 23.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -57.79 -13.39 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.5 -12.22 60.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 82' ' ' VAL . 50.6 mt -103.58 -25.45 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -41.6 -60.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -47.0 -31.69 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -86.21 -25.07 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG12 ' CG1' ' A' ' 39' ' ' ILE . 49.7 t -78.13 -52.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -59.72 -47.39 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.69 -164.72 19.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.18 -41.32 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -118.56 48.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.82 36.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLY . 78.1 p -95.78 -47.0 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.404 . . . . 0.0 110.818 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -35.86 -71.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.45 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.797 HG23 HD12 ' A' ' 50' ' ' ILE . 96.7 mt -57.05 -38.33 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.29 42.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -48.36 -43.18 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.503 ' HE2' HD11 ' A' ' 50' ' ' ILE . 41.6 mtp -71.89 -44.07 64.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.7 mtm -58.87 -24.04 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -34.1 12.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.5 -57.8 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 73' ' ' ARG . 94.0 m-85 -78.1 -2.32 36.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 52.0 52.64 14.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 30.2 m -139.37 176.01 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.99 126.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.797 HD12 HG23 ' A' ' 39' ' ' ILE . 84.2 mt -107.06 136.41 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -121.75 122.35 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.94 130.32 23.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.541 0.686 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.64 68.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -66.57 165.75 22.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.519 0.676 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 53.3 Cg_endo -69.72 -30.21 22.82 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.74 2.293 . . . . 0.0 112.298 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.99 -20.4 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.58 -14.92 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 38.88 44.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -92.13 143.27 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.97 16.56 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -120.1 107.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -83.05 148.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.32 124.68 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 21' ' ' VAL . 48.5 mt -115.85 128.93 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.7 m -106.46 139.58 40.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.606 ' N ' HD21 ' A' ' 71' ' ' LEU . . . 158.28 176.98 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD21 ' O ' ' A' ' 14' ' ' LEU . 43.8 mt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -36.65 -38.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.53 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -73.86 -41.12 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 68' ' ' ALA . 16.6 mt -55.74 -32.45 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.79 -61.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 13.1 ptt180 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -50.05 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -61.23 -42.71 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.62 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.65 -50.48 11.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.71 -52.49 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.0 mt -46.0 -54.87 7.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.91 -33.86 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 85' ' ' LEU . 5.6 tpt180 -69.72 -33.95 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.766 HG21 HG22 ' A' ' 23' ' ' VAL . 53.0 t -69.81 -54.2 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -54.53 -45.58 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.86 -51.72 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 81' ' ' ARG . 11.9 mt -49.33 -57.43 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -60.13 -26.46 66.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -31.26 56.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -80.35 -58.39 3.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 90' ' ' GLU . 2.7 pt20 -52.65 -31.93 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LEU . 63.3 tt0 -81.29 -46.7 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -53.16 -50.31 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -60.51 -30.13 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.68 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -51.44 -28.47 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 51.45 47.33 25.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 94' ' ' LEU . 1.3 t -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -65.13 173.19 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -119.34 161.57 20.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.8 t -72.76 -57.75 3.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.45 164.61 11.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 103' ' ' SER . 91.7 p -50.0 112.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 102' ' ' SER . 83.4 p 35.32 46.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -125.59 94.59 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m -159.34 171.16 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.54 134.66 6.5 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -155.79 149.8 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.9 m -49.82 157.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.16 -174.33 19.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.53 158.8 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.701 0.286 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.63 150.45 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.43 115.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 12' ' ' GLU . 8.4 tt -159.52 142.62 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 11' ' ' LEU . 11.3 pt-20 -130.42 106.08 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.8 138.0 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 14' ' ' LEU . 1.3 pp -75.02 -37.53 61.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 16' ' ' PRO . 97.9 t -88.26 132.93 37.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.81 177.79 5.26 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 71' ' ' LEU . 1.3 m -147.49 165.3 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -105.47 138.9 40.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 21.7 pt -118.56 -178.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -132.83 128.76 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 78' ' ' LEU . 4.1 t -118.45 135.34 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -81.61 101.2 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.016 HG22 HG21 ' A' ' 82' ' ' VAL . 93.9 t -140.97 133.1 14.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.76 139.94 41.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 6.7 t80 -59.81 -28.3 67.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.4 p30 -61.95 -30.01 70.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 82' ' ' VAL . 30.6 mt -86.35 -24.55 25.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 25' ' ' PHE . 28.1 m170 -48.41 -49.74 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 8.7 ptp180 -56.3 -25.55 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 12.5 m-85 -91.41 -31.17 16.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.94 -52.02 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mt -57.97 -54.77 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.38 177.77 32.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.395 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.99 -57.69 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -111.62 46.34 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.87 41.2 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 p -94.72 -26.89 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.812 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.48 -43.62 76.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mt -82.84 -37.45 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.853 0.359 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.35 -51.35 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.0 mtm -64.26 -59.29 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.6 mtm -40.82 -29.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.85 -32.09 17.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.617 ' CD ' ' CE2' ' A' ' 46' ' ' PHE . 3.5 pt-20 -72.69 -48.76 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 45' ' ' GLU . 76.3 m-85 -89.28 -15.08 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 65.82 42.26 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 16.1 m -122.72 -175.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -125.64 123.03 38.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -112.43 130.71 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' O ' HG23 ' A' ' 62' ' ' ILE . 4.6 m-70 -123.64 129.05 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 53' ' ' PRO . 87.0 t -107.26 138.78 19.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.74 133.28 25.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 55' ' ' PRO . . . -60.04 168.45 2.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 54' ' ' ALA . 52.8 Cg_endo -69.79 -26.92 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.99 -15.34 62.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 mt -94.78 -26.99 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 50.32 53.91 12.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -111.46 140.44 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.36 19.18 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.56 115.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' HIS . 58.9 mt -92.51 137.08 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.6 131.02 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 19' ' ' ILE . 52.4 mt -123.69 125.18 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -99.74 140.91 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' HD11 ' A' ' 71' ' ' LEU . . . 156.11 171.08 22.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.19 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.883 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -39.71 -35.46 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.81 -47.96 64.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 27.6 m-20 -67.3 -41.25 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 68' ' ' ALA . 14.0 mt -54.18 -36.59 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.18 -61.52 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.5 -46.76 73.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.31 3.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.719 ' HE2' HD11 ' A' ' 79' ' ' LEU . 77.4 tttt -48.15 -33.81 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.65 91.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.52 -37.35 78.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.654 HD23 HG11 ' A' ' 21' ' ' VAL . 12.5 tp -70.06 -52.47 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 75' ' ' LYS . 63.9 mt -50.11 -48.56 53.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -75.11 -36.24 61.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.016 HG21 HG22 ' A' ' 23' ' ' VAL . 53.1 t -72.72 -34.23 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -77.03 -34.97 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -80.62 -41.31 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.97 -56.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.53 -40.24 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.67 -20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' ASP . 13.5 mt-10 -91.78 -72.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -41.78 -27.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.56 -40.1 17.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' GLU . 34.0 t70 -46.57 -39.59 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -77.08 -30.51 55.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.38 68.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -60.93 -40.6 93.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -38.79 130.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 m 61.81 39.44 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.65 -59.8 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -115.03 167.98 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 p -67.72 -51.02 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.48 151.67 19.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.31 60.89 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -172.58 116.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.6 p -128.63 169.25 14.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 179.913 . . . . . . . . 0 0 . 1 stop_ save_